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

C17H14N2O3CAS 72846-00-5294.31 g/mol

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OHNOON
AmideLactam

Properties

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

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

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

Similar compounds

5-Ethoxy-1-(phenylmethyl)-2,4-imidazolidinedione65855-02-947 % similar 1-(Phenylmethyl)-2,4-imidazolidinedione6777-05-547 % similar (S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione101469-91-443 % similar Benzylphthalimide2142-01-042 % similar N-Benzylaminodiacetic acid3987-53-939 % similar Benzylmaleimide1631-26-138 % similar 6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine18184-75-337 % similar Phenylmalonic acid2613-89-037 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide133550-30-8 Ag 490134036-52-5

Elsewhere

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