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4869-45-8

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4869-45-8 Structure

4869-45-8 Structure
IdentificationBack Directory
[Name]

1,3-DiMethyl-2,4-dioxo-1,2,3,4-tetrahydropyriMidine-5-carboxylic Acid
[CAS]

4869-45-8
[Synonyms]

155793
1,3-Dimethyl-5-carboxyuracil
1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylic acid
1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-Pyrimidinecarboxylic acid
1,3-DiMethyl-2,4-dioxo-1,2,3,4-tetrahydropyriMidine-5-carboxylic Acid
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-
[Molecular Formula]

C7H8N2O4
[MDL Number]

MFCD09901808
[MOL File]

4869-45-8.mol
[Molecular Weight]

184.15
Chemical PropertiesBack Directory
[Melting point ]

193-194 °C
[Boiling point ]

308.0±52.0 °C(Predicted)
[density ]

1.472±0.06 g/cm3(Predicted)
[pka]

5.28±0.20(Predicted)
[InChI]

InChI=1S/C7H8N2O4/c1-8-3-4(6(11)12)5(10)9(2)7(8)13/h3H,1-2H3,(H,11,12)
[InChIKey]

OQOZKHDSUDJUDR-UHFFFAOYSA-N
[SMILES]

C1(=O)N(C)C=C(C(O)=O)C(=O)N1C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

1,3-Dimethyl-5-carboxyuracil is used in the synthesis and SAR of drug-like allosteric inhibitors of a mammalian lectin.
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-DiMethyl-2,4-dioxo-1,2,3,4-tetrahydropyriMidine-5-carboxylic Acid(4869-45-8)1HNMR
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