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

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Properties Simple | Detailed

Formula C6H8N2O3
IUPAC Name 5,5-dimethylhexahydropyrimidine-2,4,6-trione
Molecular Mass 156.139 g·mol−1
Heat of Formation -591.4 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 175.93 Å 3
Surface Area 170.27 Å 2
HOMO Energy -11.05 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry Cs
Synonyms
  • 5,5-dimethyl-1,3-diazinane-2,4,6-trione
  • 5,5-dimethylbarbituric acid
  • 5,5-dimethylpyrimidine-2,4,6(1h,3h,5h)-trione
CAS Number(s)
  • 24448-94-0
InChIKey LAOZSCRCYVBSJA-UHFFFAOYSA-N
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