5-Chloro-N-(Cyclopropylmethyl)-2-Methyl-N-Propyl-N'-(2,4,6-Trichlorophenyl)-4,6-Pyrimidinediamine

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Properties Simple | Detailed

Formula C18H20Cl4N4
IUPAC Name 5-chloro-n4-(cyclopropylmethyl)-2-methyl-n4-propyl-n6-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
Molecular Mass 434.190 g·mol−1
Heat of Formation 90.3 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 476.42 Å 3
Surface Area 389.54 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
Synonyms
  • 4,6-pyrimidinediamine, 5-chloro-n-(cyclopropylmethyl0-2-methyl-n-propyl-n-(2,4,6-trichlorophenyl)
  • 5-chloro-4-(n-(cyclopropyl)methyl-n-propylamino)-2-methyl-6-(2,4,6-trichlorophenyl)aminopyridine
  • 5-chloro-n-(cyclopropylmethyl)-2-methyl-n-propyl-n'-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
  • [5-chloro-2-methyl-6-[(2,4,6-trichlorophenyl)amino]pyrimidin-4-yl]-(cyclopropylmethyl)-propyl-amine
  • nbi 27914
  • nbi-27914
  • nbi27914
  • tocris-1591
CAS Number(s)
  • 184241-44-9
InChIKey KNADXBVKFAUMCR-UHFFFAOYSA-N
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Elements H C N Cl