1,4-Dihydro-2-Methyl-4-Oxo-6-((3-Pyridinylmethyl)Amino)-5-Pyrimidinecarbonitrile

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Properties Simple | Detailed

Formula C12H11N5O
IUPAC Name 2-methyl-4-oxo-6-(3-pyridylmethylamino)pyrimidin-1-ium-3-ide-5-carbonitrile
Molecular Mass 241.249 g·mol−1
Heat of Formation 216.2 ± 16.7 kJ·mol−1
Dipole Moment 12.54 ± 1.08 D
Volume 284.18 Å 3
Surface Area 273.47 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 1.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-4-oxo-6-(3-pyridylmethylamino)-1h-pyrimidine-5-carbonitrile
  • 4-keto-2-methyl-6-(3-pyridylmethylamino)-1h-pyrimidine-5-carbonitrile
  • 5-pyrimidinecarbonitrile, 1,4-dihydro-2-methyl-4-oxo-6-((3-pyridinylmethyl)amino)-
  • pelrinona [spanish]
  • pelrinone
  • pelrinonum [latin]
CAS Number(s)
  • 94386-65-9
InChIKey NZXHFDXOCVIYLO-UHFFFAOYSA-N
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