5,5-Diethyl-1,3-Dimethyl-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C10H16N2O3
IUPAC Name 5,5-diethyl-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 212.246 g·mol−1
Heat of Formation -636.0 ± 16.7 kJ·mol−1
Dipole Moment 0.70 ± 1.08 D
Volume 258.23 Å 3
Surface Area 228.38 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dimethylbarbital
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5,5-diethyl-1,3-dimethyl-
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5,5-diethyl-1,3-dimethyl- (9ci)
  • 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
  • 5,5-diethyl-1,3-dimethyl-barbituric acid
  • 5,5-diethyl-1,3-dimethylbarbituric acid
  • 5,5-diethyl-1,3-dimethylhexahydropyrimidine-2,4,6-trione
  • barbituric acid, 5,5-diethyl-1,3-dimethyl-
  • bim-0005286.p001
  • cbmicro_005181
  • dimethylbarbital
  • dimethylveronal
  • n,n'-dimethylbarbital
CAS Number(s)
  • 714-59-0
InChIKey RGLAXEITJXZVAN-UHFFFAOYSA-N
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