4869-45-8

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4869-45-8 Structure

Identification	Back 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 Properties	Back 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 Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H335
[Precautionary statements ] P261-P305+P351+P338

Hazard Information	Back Directory
[Uses] 1,3-Dimethyl-5-carboxyuracil is used in the synthesis and SAR of drug-like allosteric inhibitors of a mammalian lectin.

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