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

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Properties Simple | Detailed

Formula C11H18ClN5S
IUPAC Name 4-chloro-n-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine
Molecular Mass 287.812 g·mol−1
Heat of Formation 156.3 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 336.59 Å 3
Surface Area 294.18 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-pyridinamine, 4-chloro-n-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-
  • 4-chloro-2-(methylamino)-6-(4-methyl-1-piperazinyl)-5-(methylthio)pyrimidine
  • 4-chloro-2-methylamino-5-methylthio-6-(4-methyl-1-piperazinyl)pyrimidine
  • 4-chloro-n-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine
  • 4-chloro-n-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine
  • [4-chloro-6-(4-methylpiperazin-1-yl)-5-(methylthio)pyrimidin-2-yl]-methyl-amine
  • mezilamine
  • o-6553
  • pyrimidine, 4-chloro-2-(methylamino)-5-(methylthio)-6-(4-methyl-1-piperazinyl)-
InChIKey ITYXRJDDBZMFAY-UHFFFAOYSA-N
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Elements H S N C Cl