(5S)-5-Butyl-1-Methyl-5-Phenyl-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C15H18N2O3
IUPAC Name (5s)-5-butyl-1-methyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 274.315 g·mol−1
Heat of Formation -514.5 ± 16.7 kJ·mol−1
Dipole Moment 1.28 ± 1.08 D
Volume 329.72 Å 3
Surface Area 288.83 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-5-butyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
  • (5s)-5-butyl-1-methyl-5-phenyl-barbituric acid
  • (5s)-5-butyl-1-methyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
  • (5s)-5-butyl-1-methyl-5-phenylhexahydropyrimidine-2,4,6-trione
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-butyl-1-methyl-5-phenyl-, (s)-
CAS Number(s)
  • 64091-30-1
InChIKey LPJKVDCUVJMVSG-HNNXBMFYSA-N
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