Pyrimidine

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Properties Simple | Detailed

Formula C4H4N2
IUPAC Name pyrimidine
Molecular Mass 80.088 g·mol−1
Heat of Formation 168.2 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 99.09 Å 3
Surface Area 111.69 Å 2
HOMO Energy -10.39 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-diazabenzene
  • 1,3-diazine
  • m-diazine
  • metadiazine
  • miazine
  • p1r
  • pyrimidine base
  • pyrimidine, dimer
CAS Number(s)
  • 25247-63-6
  • 289-95-2
InChIKey CZPWVGJYEJSRLH-UHFFFAOYSA-N
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Elements H C N