6-Chloro-N-Isopropyl-5-Methyl-2-(1-Piperazinyl)-4-Pyrimidinamine

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Properties Simple | Detailed

Formula C12H20ClN5
IUPAC Name 6-chloro-n-isopropyl-5-methyl-2-piperazin-1-yl-pyrimidin-4-amine
Molecular Mass 269.774 g·mol−1
Heat of Formation 60.4 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 326.51 Å 3
Surface Area 297.85 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (6-chloro-5-methyl-2-piperazin-1-yl-pyrimidin-4-yl)-isopropyl-amine
  • 4-pyrimidinamine, 6-chloro-5-methyl-n-(1-methylethyl)-2-(1-piperazinyl)-
  • 6-chloro-4-(isopropylamino)-5-(methyl)-2-piperazinopyrimidine
  • 6-chloro-5-methyl-2-piperazin-1-yl-n-propan-2-yl-pyrimidin-4-amine
  • 6-chloro-n-isopropyl-5-methyl-2-piperazin-1-yl-pyrimidin-4-amine
  • rp 55462
  • rp-55462
CAS Number(s)
  • 102396-29-2
InChIKey JACOPLXAPPBQSL-UHFFFAOYSA-N
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Elements H C N Cl