4-{2-[4-(2-Aminoethyl)-1-Piperazinyl]-4-Pyridinyl}-N-(3-Chloro-4-Methylphenyl)-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C22H26ClN7
IUPAC Name 4-[2-[4-(2-aminoethyl)piperazin-1-yl]-4-pyridyl]-n-(3-chloro-4-methyl-phenyl)pyrimidin-2-amine
Molecular Mass 423.942 g·mol−1
Heat of Formation 386.0 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 493.5 Å 3
Surface Area 450.59 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[4-[2-[(3-chloro-4-methyl-phenyl)amino]pyrimidin-4-yl]-2-pyridyl]piperazin-1-yl]ethylamine
  • 4-[2-[4-(2-aminoethyl)-1-piperazinyl]-4-pyridyl]-n-(3-chloro-4-methylphenyl)-2-pyrimidinamine
  • 4-[2-[4-(2-aminoethyl)piperazin-1-yl]-4-pyridyl]-n-(3-chloro-4-methyl-phenyl)pyrimidin-2-amine
  • 4-[2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl]-n-(3-chloro-4-methyl-phenyl)pyrimidin-2-amine
  • 4-[2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl]-n-(3-chloro-4-methylphenyl)pyrimidin-2-amine
  • 4-{2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl}-n-(3-chloro-4-methylphenyl)pyrimidin-2-amine
  • wai
InChIKey RHOOHUMOHVIXEF-UHFFFAOYSA-N
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Elements H C Cl N