N1-[5-Chloro-6-Methyl-2-(2-Pyridyl)Pyrimidin-4-Yl]-N2-[6-(Trifluoromethyl)-2-Pyridyl]Ethane-1,2-Diamine

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Properties Simple | Detailed

Formula C18H16ClF3N6
IUPAC Name n'-[5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]-n-[6-(trifluoromethyl)-2-pyridyl]ethane-1,2-diamine
Molecular Mass 408.808 g·mol−1
Heat of Formation -286.8 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 441.41 Å 3
Surface Area 396.65 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
Synonyms
  • [5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]-[2-[[6-(trifluoromethyl)-2-pyridyl]amino]ethyl]amine
  • n-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)-n'-[6-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
  • n-[5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]-n'-[6-(trifluoromethyl)-2-pyridyl]ethane-1,2-diamine
  • sr-01000643207-1
InChIKey BDLJLGRTYOMPEG-UHFFFAOYSA-N
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Elements Cl C N H F