6-(4-Methyl-1-Piperazinyl)-N-(5-Methyl-1H-Pyrazol-3-Yl)-2-[(E)-2-Phenylvinyl]-4-Pyrimidinamine

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Properties Simple | Detailed

Formula C21H25N7
IUPAC Name 6-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-styryl]pyrimidin-4-amine
Molecular Mass 375.470 g·mol−1
Heat of Formation 504.2 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 462.27 Å 3
Surface Area 413.12 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 1.40 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylvinyl]pyrimidin-4-amine
  • [6-(4-methylpiperazin-1-yl)-2-[(e)-2-phenylvinyl]pyrimidin-4-yl]-(5-methyl-1h-pyrazol-3-yl)amine
InChIKey BLQYVHBZHAISJM-CMDGGOBGSA-N
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Elements H C N