4-[(1-Methyl-5-Nitro-1H-Imidazol-2-Yl)Ethynyl]-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C10H8N6O2
IUPAC Name 4-[2-(1-methyl-5-nitroimidazol-2-yl)ethynyl]pyrimidin-2-amine
Molecular Mass 244.210 g·mol−1
Heat of Formation 1643.5 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 264.4 Å 3
Surface Area 263.22 Å 2
HOMO Energy -10.81 ± 0.55 eV
LUMO Energy -3.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-4-(2-ethynyl-1-methyl-5-nitroimidazole)pyrimidine
  • 2-pyrimidinamine, 4-((1-methyl-5-nitro-1h-imidazol-2-yl)ethynyl)-
  • 4-[2-(1-methyl-5-nitro-2-imidazolyl)ethynyl]-2-pyrimidinamine
  • 4-[2-(1-methyl-5-nitro-imidazol-2-yl)ethynyl]pyrimidin-2-amine
  • 4-[2-(1-methyl-5-nitroimidazol-2-yl)ethynyl]pyrimidin-2-amine
  • [4-[2-(1-methyl-5-nitro-imidazol-2-yl)ethynyl]pyrimidin-2-yl]amine
  • f 4
  • f-4
CAS Number(s)
  • 53347-38-9
InChIKey QUTHCURCAWPHIN-UHFFFAOYSA-N
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