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

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Properties Simple | Detailed

Formula C16H20N2O3
IUPAC Name (5s)-1-methyl-5-pentyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 288.342 g·mol−1
Heat of Formation -536.2 ± 16.7 kJ·mol−1
Dipole Moment 1.37 ± 1.08 D
Volume 351.92 Å 3
Surface Area 309.11 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-1-methyl-5-pentyl-5-phenyl-1,3-diazinane-2,4,6-trione
  • (5s)-1-methyl-5-pentyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
  • (5s)-1-methyl-5-pentyl-5-phenylhexahydropyrimidine-2,4,6-trione
  • (5s)-5-amyl-1-methyl-5-phenyl-barbituric acid
  • 1-methyl-5-pentyl-5-phenylbarbituric acid
  • mppba
CAS Number(s)
  • 112769-18-3
InChIKey QPQAFLPWFVOKBJ-INIZCTEOSA-N
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