N-{3-[(4-{[3-(Trifluoromethyl)Phenyl]Amino}-2-Pyrimidinyl)Amino]Phenyl}Cyclopropanecarboxamide

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Properties Simple | Detailed

Formula C21H18F3N5O
IUPAC Name n-[3-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide
Molecular Mass 413.396 g·mol−1
Heat of Formation -414.0 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 466.35 Å 3
Surface Area 351.54 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • aurora kinase inhibitor iii
  • cc3
  • cyclopropanecarboxylic acid {3-[4-(3-trifluoromethyl-phenylamino)-pyrimidin-2-ylamino]-phenyl}-amide
  • cyclopropanecarboxylic acid-(3-(4-(3-trifluoromethyl-phenylamino)-pyrimidin-2-ylamino)-phenyl)-amide
  • k00603a
  • n-[3-[[4-[[3-(trifluoromethyl)phenyl]amino]-2-pyrimidinyl]amino]phenyl]cyclopropanecarboxamide
  • n-[3-[[4-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide
InChIKey RDTDWGQDFJPTPD-UHFFFAOYSA-N
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