N-[6-Amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-methyl-I+/--(phenylmethylene)benzeneacetamide

HCID 72088720

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Basic information

CAS: 875446-38-1
Standard SMILES: CN(C(=O)C(=Cc1ccccc1)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIKey: QQPXPMSOMOOQTB-UHFFFAOYSA-N
Molecular formula: C27H24N4O3
Average molar mass: 452.5 g/mol
Monoisotopic mass: 452.18484064

Names & identifiers

Preferred name: N-[6-Amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-methyl-I+/--(phenylmethylene)benzeneacetamide
IUPAC: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2,3-diphenylprop-2-enamide

Names & synonyms

DTXSID901106244AKOS034064713875446-38-1N-[6-Amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-methyl-I+/--(phenylmethylene)benzeneacetamide

Database identifiers

CAS: 875446-38-1
PubChem CID: 72088720
DTXSID: DTXSID901106244

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 95.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 831

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