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

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Properties Simple | Detailed

Formula C9H14N2O3
IUPAC Name 5,5-diethyl-1-methyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 198.219 g·mol−1
Heat of Formation -635.5 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 237.77 Å 3
Surface Area 213.0 Å 2
HOMO Energy -10.54 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methylbarbital
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5,5-diethyl-1-methyl-
  • 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
  • 5,5-diethyl-1-methyl-barbituric acid
  • 5,5-diethyl-1-methylbarbituric acid
  • 5,5-diethyl-1-methylhexahydropyrimidine-2,4,6-trione
  • 5,5-diethyl-1-methylpyrimidine-2,4,6(1h,3h,5h)-trione
  • an 23
  • barbituric acid, 5,5-diethyl-1-methyl-
  • d01382
  • endiemal
  • endiemalum
  • gemonil
  • gemonit
  • metabarbital
  • metarbitale [dcit]
  • methabarbital
  • metharbital
  • metharbital (jan)
  • metharbitone
  • metharbutal
  • methylbarbital
  • n-methylbarbital
  • sch 412
CAS Number(s)
  • 50-11-3
InChIKey FWJKNZONDWOGMI-UHFFFAOYSA-N
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