MiMeDB: Showing metabocard for 5,6-diaminouracil (MMDBc0054286)

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-05 23:04:41 UTC

Update Date

2025-10-07 16:08:27 UTC

Metabolite ID

MMDBc0054286

Metabolite Identification

Common Name

5,6-diaminouracil

Description

5,6-diaminouracil is a pyrimidine derivative belonging to the class of nucleobase analogs. Its chemical structure features two amino groups at positions 5 and 6 of the uracil ring, which enhances its reactivity and potential for forming various derivatives. In synthetic chemistry, 5,6-diaminouracil serves as a versatile building block for the synthesis of biologically relevant compounds, including xanthine derivatives. For instance, it has been utilized in the cyclocondensation reactions with oxazolones to yield xanthine compounds (PMID:34681643 ). Additionally, it participates in the formation of imidazolone derivatives through reactions with oxazolones in the presence of acetic acid (PMID:34681643 ). The compound can also be condensed with aromatic aldehydes to produce 6-aryllumazines (PMID:33182318 ) and serves as a precursor for 6-amino-5-carboxamidouracils, which are important in the synthesis of 8-substituted xanthines (PMID:31181839 ). Overall, 5,6-diaminouracil plays a significant role in the development of various nitrogen-containing heterocycles that may exhibit biological activity.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
5,6-Diamino-2,4-dihydroxypyrimidine	ChEBI
5,6-Diaminopyrimidine-2,4-dione	ChEBI
Diaminouracil	ChEBI
5,6-diamino-2,4-Dihydroxypyrimidine sulfate (1:1)	MeSH
5,6-diamino-2,4-Dihydroxypyrimidine sulfate (2:1)	MeSH

Molecular Formula

C₄H₆N₄O₂

Average Mass

142.116

Monoisotopic Mass

142.049075456

IUPAC Name

5,6-diamino-1,2,3,4-tetrahydropyrimidine-2,4-dione

Traditional Name

5,6-diaminouracil

CAS Registry Number

Not Available

SMILES

NC1=C(N)C(=O)NC(=O)N1

InChI Identifier

InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)

InChI Key

BBTNLADSUVOPPN-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazines

Sub Class

Pyrimidines and pyrimidine derivatives

Direct Parent

Pyrimidones

Alternative Parents

Substituents

Aminopyrimidine
Pyrimidone
Hydropyrimidine
Vinylogous amide
Heteroaromatic compound
Lactam
Urea
Azacycle
Organic oxide
Organic nitrogen compound
Organopnictogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Amine
Organic oxygen compound
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

aminopyrimidine (CHEBI:46252 )
pyrimidone (CHEBI:46252 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	13.8 g/L	ALOGPS
logP	-1.5	ALOGPS
logP	-2.2	ChemAxon
logS	-1	ALOGPS
pKa (Strongest Acidic)	9.42	ChemAxon
pKa (Strongest Basic)	2.52	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	110.24 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	42.53 m³·mol⁻¹	ChemAxon
Polarizability	12.08 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-5900000000-9033e2cbec9825502bb9	2017-08-28	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0900000000-c46c6bcc9ae7620c9c09	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0f96-4900000000-771b8a2174ae45a31549	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-052g-9000000000-cc4dd9d07c6a59081a55	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9300000000-a957cdb50c7a6a538e84	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-9000000000-17fa157b6db83fdeb8e2	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-48835f099aa31e9d8f71	2017-07-26	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-24	470.1
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	272.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-24	38.9
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	229.1
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (void)	2025-10-24	285.1
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-24	326.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	373.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	862.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	708.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	203.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	539.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	218.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	49.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	240.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	777.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	89.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	288.9
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	554.6
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	563.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	5,6-diaminouracil_TMS_1	C[Si](C)(C)NC1=C(N)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	1930.8
Gas Chromatography	5,6-diaminouracil_TMS_2	C[Si](C)(C)NC1=C(N)[NH]C(=O)[NH]C1=O	standard non polar	2025-10-24	2220.13
Gas Chromatography	5,6-diaminouracil_TMS_3	C[Si](C)(C)N1C(=O)[NH]C(N)=C(N)C1=O	standard non polar	2025-10-24	2057.47
Gas Chromatography	5,6-diaminouracil_TMS_4	C[Si](C)(C)N1C(N)=C(N)C(=O)[NH]C1=O	standard non polar	2025-10-24	1867.84
Gas Chromatography	5,6-diaminouracil_TMS_5	C[Si](C)(C)NC1=C(N[Si](C)(C)C)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	2169.87
Gas Chromatography	5,6-diaminouracil_TMS_6	C[Si](C)(C)N(C1=C(N)C(=O)[NH]C(=O)[NH]1)[Si](C)(C)C	standard non polar	2025-10-24	1946.18
Gas Chromatography	5,6-diaminouracil_TMS_7	C[Si](C)(C)NC1=C(N)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2171.16
Gas Chromatography	5,6-diaminouracil_TMS_8	C[Si](C)(C)NC1=C(N)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1962.83
Gas Chromatography	5,6-diaminouracil_TMS_9	C[Si](C)(C)N(C1=C(N)[NH]C(=O)[NH]C1=O)[Si](C)(C)C	standard non polar	2025-10-24	2818.21
Gas Chromatography	5,6-diaminouracil_TMS_10	C[Si](C)(C)NC1=C(N)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	2233.6
Gas Chromatography	5,6-diaminouracil_TMS_11	C[Si](C)(C)NC1=C(N)[NH]C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	1766.91
Gas Chromatography	5,6-diaminouracil_TMS_12	C[Si](C)(C)N1C(N)=C(N)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	1535.87
Gas Chromatography	5,6-diaminouracil_TMS_13	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C(=O)[NH]C1=O	standard non polar	2025-10-24	1712.73
Gas Chromatography	5,6-diaminouracil_TMS_14	C[Si](C)(C)NC1=C(N[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	2267.12
Gas Chromatography	5,6-diaminouracil_TMS_15	C[Si](C)(C)NC1=C(N[Si](C)(C)C)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	2174.13
Gas Chromatography	5,6-diaminouracil_TMS_16	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	1676.32
Gas Chromatography	5,6-diaminouracil_TMS_17	C[Si](C)(C)N(C1=C(N)C(=O)[NH]C(=O)N1[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2697.52
Gas Chromatography	5,6-diaminouracil_TMS_18	C[Si](C)(C)N(C1=C(N)C(=O)N([Si](C)(C)C)C(=O)[NH]1)[Si](C)(C)C	standard non polar	2025-10-24	1380.22
Gas Chromatography	5,6-diaminouracil_TMS_19	C[Si](C)(C)NC1=C(N)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2044.99
Gas Chromatography	5,6-diaminouracil_TMS_20	C[Si](C)(C)N(C1=C(N)N([Si](C)(C)C)C(=O)[NH]C1=O)[Si](C)(C)C	standard non polar	2025-10-24	1960.52
Gas Chromatography	5,6-diaminouracil_TMS_21	C[Si](C)(C)N(C1=C(N)[NH]C(=O)N([Si](C)(C)C)C1=O)[Si](C)(C)C	standard non polar	2025-10-24	1731.2
Gas Chromatography	5,6-diaminouracil_TMS_22	C[Si](C)(C)NC1=C(N)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	1658.01
Gas Chromatography	5,6-diaminouracil_TMS_23	C[Si](C)(C)N(C1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)[NH]C(=O)[NH]1)[Si](C)(C)C	standard non polar	2025-10-24	1387.26
Gas Chromatography	5,6-diaminouracil_TMS_24	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	1920.29
Gas Chromatography	5,6-diaminouracil_TMS_25	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	2219.42
Gas Chromatography	5,6-diaminouracil_TMS_26	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1814.86
Gas Chromatography	5,6-diaminouracil_TMS_27	C[Si](C)(C)NC1=C(N[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	1902.17
Gas Chromatography	5,6-diaminouracil_TMS_28	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1993.71
Gas Chromatography	5,6-diaminouracil_TMS_29	C[Si](C)(C)N(C1=C(N)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2380.06
Gas Chromatography	5,6-diaminouracil_TMS_30	C[Si](C)(C)N(C1=C(N)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O)[Si](C)(C)C	standard non polar	2025-10-24	2472.51
Gas Chromatography	5,6-diaminouracil_TMS_31	C[Si](C)(C)N(C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O)[Si](C)(C)C	standard non polar	2025-10-24	1622.53
Gas Chromatography	5,6-diaminouracil_TMS_32	C[Si](C)(C)N(C1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C(=O)[NH]1)[Si](C)(C)C	standard non polar	2025-10-24	1873.05
Gas Chromatography	5,6-diaminouracil_TMS_33	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	2672.86
Gas Chromatography	5,6-diaminouracil_TMS_34	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2419.2
Gas Chromatography	5,6-diaminouracil_TMS_35	C[Si](C)(C)N(C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O)[Si](C)(C)C	standard non polar	2025-10-24	2207.5
Gas Chromatography	5,6-diaminouracil_TMS_1	C[Si](C)(C)NC1=C(N)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	1906.79
Gas Chromatography	5,6-diaminouracil_TMS_2	C[Si](C)(C)NC1=C(N)[NH]C(=O)[NH]C1=O	standard polar	2025-10-24	1905.03
Gas Chromatography	5,6-diaminouracil_TMS_3	C[Si](C)(C)N1C(=O)[NH]C(N)=C(N)C1=O	standard polar	2025-10-24	2357.36
Gas Chromatography	5,6-diaminouracil_TMS_4	C[Si](C)(C)N1C(N)=C(N)C(=O)[NH]C1=O	standard polar	2025-10-24	2020.02
Gas Chromatography	5,6-diaminouracil_TMS_5	C[Si](C)(C)NC1=C(N[Si](C)(C)C)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	1875.81
Gas Chromatography	5,6-diaminouracil_TMS_6	C[Si](C)(C)N(C1=C(N)C(=O)[NH]C(=O)[NH]1)[Si](C)(C)C	standard polar	2025-10-24	2214.17
Gas Chromatography	5,6-diaminouracil_TMS_7	C[Si](C)(C)NC1=C(N)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2204.0
Gas Chromatography	5,6-diaminouracil_TMS_8	C[Si](C)(C)NC1=C(N)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2245.52
Gas Chromatography	5,6-diaminouracil_TMS_9	C[Si](C)(C)N(C1=C(N)[NH]C(=O)[NH]C1=O)[Si](C)(C)C	standard polar	2025-10-24	2584.28
Gas Chromatography	5,6-diaminouracil_TMS_10	C[Si](C)(C)NC1=C(N)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	1819.39
Gas Chromatography	5,6-diaminouracil_TMS_11	C[Si](C)(C)NC1=C(N)[NH]C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2345.58
Gas Chromatography	5,6-diaminouracil_TMS_12	C[Si](C)(C)N1C(N)=C(N)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2540.74
Gas Chromatography	5,6-diaminouracil_TMS_13	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C(=O)[NH]C1=O	standard polar	2025-10-24	1802.44
Gas Chromatography	5,6-diaminouracil_TMS_14	C[Si](C)(C)NC1=C(N[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2173.23
Gas Chromatography	5,6-diaminouracil_TMS_15	C[Si](C)(C)NC1=C(N[Si](C)(C)C)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2416.54
Gas Chromatography	5,6-diaminouracil_TMS_16	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2489.05
Gas Chromatography	5,6-diaminouracil_TMS_17	C[Si](C)(C)N(C1=C(N)C(=O)[NH]C(=O)N1[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1601.34
Gas Chromatography	5,6-diaminouracil_TMS_18	C[Si](C)(C)N(C1=C(N)C(=O)N([Si](C)(C)C)C(=O)[NH]1)[Si](C)(C)C	standard polar	2025-10-24	1855.15
Gas Chromatography	5,6-diaminouracil_TMS_19	C[Si](C)(C)NC1=C(N)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1983.33
Gas Chromatography	5,6-diaminouracil_TMS_20	C[Si](C)(C)N(C1=C(N)N([Si](C)(C)C)C(=O)[NH]C1=O)[Si](C)(C)C	standard polar	2025-10-24	1953.46
Gas Chromatography	5,6-diaminouracil_TMS_21	C[Si](C)(C)N(C1=C(N)[NH]C(=O)N([Si](C)(C)C)C1=O)[Si](C)(C)C	standard polar	2025-10-24	1808.36
Gas Chromatography	5,6-diaminouracil_TMS_22	C[Si](C)(C)NC1=C(N)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2197.65
Gas Chromatography	5,6-diaminouracil_TMS_23	C[Si](C)(C)N(C1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)[NH]C(=O)[NH]1)[Si](C)(C)C	standard polar	2025-10-24	2221.07
Gas Chromatography	5,6-diaminouracil_TMS_24	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	1979.45
Gas Chromatography	5,6-diaminouracil_TMS_25	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	1749.77
Gas Chromatography	5,6-diaminouracil_TMS_26	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2028.91
Gas Chromatography	5,6-diaminouracil_TMS_27	C[Si](C)(C)NC1=C(N[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	1812.52
Gas Chromatography	5,6-diaminouracil_TMS_28	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2994.71
Gas Chromatography	5,6-diaminouracil_TMS_29	C[Si](C)(C)N(C1=C(N)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1698.14
Gas Chromatography	5,6-diaminouracil_TMS_30	C[Si](C)(C)N(C1=C(N)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O)[Si](C)(C)C	standard polar	2025-10-24	2597.54
Gas Chromatography	5,6-diaminouracil_TMS_31	C[Si](C)(C)N(C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O)[Si](C)(C)C	standard polar	2025-10-24	2422.08
Gas Chromatography	5,6-diaminouracil_TMS_32	C[Si](C)(C)N(C1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C(=O)[NH]1)[Si](C)(C)C	standard polar	2025-10-24	2519.45
Gas Chromatography	5,6-diaminouracil_TMS_33	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	1981.87
Gas Chromatography	5,6-diaminouracil_TMS_34	C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1784.32
Gas Chromatography	5,6-diaminouracil_TMS_35	C[Si](C)(C)N(C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O)[Si](C)(C)C	standard polar	2025-10-24	2163.89

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites
Bacteria	Proteobacteria	1	Human ; Human feces
Viruses/Bamfordvirae	Nucleocytoviricota	1
Bacteria/Eubacteria	Cyanobacteria	1
Bacteria/Eubacteria	Proteobacteria	5	Human ; Human feces

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

DB03826

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

76726

PDB ID

Not Available

ChEBI ID

46252

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for 5,6-diaminouracil (MMDBc0054286)

MOL for #<Metabolite:0x00007fadc524b628>

3D MOL for #<Metabolite:0x00007fadc524b628>

3D SDF for #<Metabolite:0x00007fadc524b628>

3D-SDF for #<Metabolite:0x00007fadc524b628>

PDB for #<Metabolite:0x00007fadc524b628>

3D PDB for #<Metabolite:0x00007fadc524b628>

SMILES for #<Metabolite:0x00007fadc524b628>

INCHI for #<Metabolite:0x00007fadc524b628>

Structure for #<Metabolite:0x00007fadc524b628>

3D Structure for #<Metabolite:0x00007fadc524b628>