N-[3-(1H-Imidazol-1-Yl)Phenyl]-4-(2-Pyridinyl)-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C18H14N6
IUPAC Name n-[3-(4h-imidazol-3-ium-4-ylium-3-yl)phenyl]-4-(2-pyridyl)pyrimidin-2-amine
Molecular Mass 314.344 g·mol−1
Heat of Formation 588.3 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 368.96 Å 3
Surface Area 324.06 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (3-imidazol-1-ylphenyl)-[4-(2-pyridyl)pyrimidin-2-yl]amine
  • 2-pyrimidinamine, n-(3-(1h-imidazol-1-yl)phenyl)-4-(2-pyridinyl)-
  • n-(3-(1h-imidazol-1-yl)phenyl)-4-(2-pyridinyl)-2-pyrimidinamine
  • n-(3-imidazol-1-ylphenyl)-4-(2-pyridyl)pyrimidin-2-amine
  • n-(3-imidazol-1-ylphenyl)-4-pyridin-2-yl-pyrimidin-2-amine
  • n-[3-(1-imidazolyl)phenyl]-4-(2-pyridyl)-2-pyrimidinamine
CAS Number(s)
  • 112675-52-2
InChIKey SERDALJOTOQTDL-UHFFFAOYSA-N
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