[4-Methyl-6-(3-Nitrophenyl)-2-Phenyl-5-Pyrimidinyl](4-Methyl-1-Piperazinyl)Methanone

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Properties Simple | Detailed

Formula C23H23N5O3
IUPAC Name [4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
Molecular Mass 417.460 g·mol−1
Heat of Formation 153.5 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 495.02 Å 3
Surface Area 408.44 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-4-((4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl)carbonyl)piperazine
  • 6-methyl-5-(4-methylpiperazin-1-ylcarbonyl)-4-(3-nitrophenyl)-2-phenylpyrimidine
  • [4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]-(4-methyl-1-piperazinyl)methanone
  • [4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
  • fk360
  • piperazine, 1-methyl-4-((4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl)carbonyl)-
CAS Number(s)
  • 103294-21-9
InChIKey DKNNLKOLBQMHAY-UHFFFAOYSA-N
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