1,2,3,4-Tetrahydro-1-methyl-2,4-dioxo-3-(2-propen-1-yl)-5-pyrimidinecarboxylic acid

HCID 39733300

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Basic information

CAS: 857410-57-2
Standard SMILES: C=CCn1c(=O)c(C(=O)O)cn(C)c1=O
InChIKey: MKESBYIEEDTFJU-UHFFFAOYSA-N
Molecular formula: C9H10N2O4
Average molar mass: 210.19 g/mol
Monoisotopic mass: 210.0640568

Names & identifiers

Preferred name: 1,2,3,4-Tetrahydro-1-methyl-2,4-dioxo-3-(2-propen-1-yl)-5-pyrimidinecarboxylic acid
IUPAC: 1-methyl-2,4-dioxo-3-prop-2-enylpyrimidine-5-carboxylic acid

Names & synonyms

DTXSID2011301171,2,3,4-Tetrahydro-1-methyl-2,4-dioxo-3-(2-propen-1-yl)-5-pyrimidinecarboxylic acid857410-57-21-Methyl-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

Database identifiers

CAS: 857410-57-2
PubChem CID: 39733300
DTXSID: DTXSID201130117

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 77.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 372

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