N1-[5-Chloro-6-Methyl-2-(2-Pyridyl)Pyrimidin-4-Yl]-N2-[5-(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-[5-(trifluoromethyl)-2-pyridyl]ethane-1,2-diamine
Molecular Mass 408.808 g·mol−1
Heat of Formation -312.6 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 443.93 Å 3
Surface Area 396.08 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • [5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]-[2-[[5-(trifluoromethyl)-2-pyridyl]amino]ethyl]amine
  • n-(5-chloro-6-methyl-2-pyridin-2-yl-pyrimidin-4-yl)-n'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
  • n-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)-n'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
  • n-[5-chloro-6-methyl-2-(2-pyridyl)-4-pyrimidinyl]-n'-[5-(trifluoromethyl)-2-pyridyl]ethane-1,2-diamine
  • n-[5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]-n'-[5-(trifluoromethyl)-2-pyridyl]ethane-1,2-diamine
  • rdr 03877
InChIKey RKRMHCLBTVBYAU-UHFFFAOYSA-N
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Elements Cl C N H F