Pyrimidinol

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Properties Simple | Detailed

Formula C8H13N2O+
IUPAC Name 2-isopropyl-6-methyl-5h-pyrimidin-1-ium-5-id-4-one
Molecular Mass 153.202 g·mol−1
Heat of Formation -141.2 ± 16.7 kJ·mol−1
Dipole Moment 8.50 ± 1.08 D
Volume 196.78 Å 3
Surface Area 195.42 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2-isopropyl-4-methyl-6-hydroxypyrimidine
  • 2-isopropyl-6-methyl-1h-pyrimidin-4-one
  • 2-isopropyl-6-methyl-4-pyrimidinol
  • 2-isopropyl-6-methyl-4-pyrimidone
  • 2-isopropyl-6-methylpyrimidin-4(1h)-one
  • 2-isopropyl-6-methylpyrimidin-4-ol
  • 4(1h)-pyrimidinone, 2-isopropyl-6-methyl-
  • 4(1h)-pyrimidinone, 6-methyl-2-(1-methylethyl)-
  • 4(3h)-pyrimidinone, 2-isopropyl-6-methyl-
  • 6-methyl-2-(1-methylethyl)pyrimidin-4-ol
  • 6-methyl-2-(propan-2-yl)pyrimidin-4-ol
  • 6-methyl-2-propan-2-yl-1h-pyrimidin-4-one
  • 6-pyrimidinol, 2-isopropyl-4-methyl
  • enamine_000328
  • imhp
  • sr-01000642710-1
CAS Number(s)
  • 16858-17-6
  • 2814-20-2
InChIKey AJPIUNPJBFBUKK-UHFFFAOYSA-N
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