5-Phenyl-1-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

C₁₇H₁₄N₂O₃CAS 72846-00-5294.31 g/mol

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Properties

Molecular formula: C₁₇H₁₄N₂O₃
Molar mass: 294.31 g/mol
Exact mass: 294.1004 Da
logP: 2.89Crippen estimate
Polar surface area: 70.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

72846-00-5

SMILES

O=C1N=C(O)C(c2ccccc2)C(=O)N1Cc1ccccc1

InChIKey

KCWWCWMGJOWTMY-UHFFFAOYSA-N

InChI

InChI=1S/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(21)19(17(22)18-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20,22)

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Names and synonyms

4 names

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-1-(phenylmethyl)-
5-Phenyl-1-benzylbarbituric acid
1-Benzyl-5-phenylbarbituric acid
1-Benzyl-5-phenyl-1,3-diazinane-2,4,6-trione

Work with 5-Phenyl-1-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

(2E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide133550-30-8

Elsewhere

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