2-{[4-(4-Morpholinyl)Phenyl]Amino}-4-[(2,3,6-Trifluorobenzyl)Amino]-5-Pyrimidinecarboxamide

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Properties Simple | Detailed

Formula C22H21F3N6O2
IUPAC Name 2-(4-morpholinoanilino)-4-[(2,3,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
Molecular Mass 458.436 g·mol−1
Heat of Formation -521.5 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 507.41 Å 3
Surface Area 444.22 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4-morpholin-4-ylphenyl)amino]-4-[(2,3,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
  • 2-[(4-morpholinophenyl)amino]-4-[(2,3,6-trifluorobenzyl)amino]pyrimidine-5-carboxamide
  • 2-[(4-morpholinophenyl)amino]-4-[(2,3,6-trifluorophenyl)methylamino]-5-pyrimidinecarboxamide
  • 2-[(4-morpholinophenyl)amino]-4-[(2,3,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
InChIKey IUUUCMFTTBSFIT-UHFFFAOYSA-N
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