(5R)-1-Benzoyl-5-Ethyl-5-Phenyl-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C19H16N2O4
IUPAC Name (5r)-1-benzoyl-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 336.341 g·mol−1
Heat of Formation -481.3 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 382.45 Å 3
Surface Area 324.13 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (5r)-1-(benzoyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
  • (5r)-1-(benzoyl)-5-ethyl-5-phenyl-barbituric acid
  • (5r)-1-(benzoyl)-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
  • (5r)-5-ethyl-1-(oxo-phenylmethyl)-5-phenylhexahydropyrimidine-2,4,6-trione
  • (5r)-5-ethyl-5-phenyl-1-phenylcarbonyl-1,3-diazinane-2,4,6-trione
InChIKey QMOWPJIFTHVQMB-LJQANCHMSA-N
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