6-({[2-Methoxy-5-(Trifluoromethyl)Phenyl]Amino}Methyl)-5-Methylpyrido[2,3-D]Pyrimidine-2,4-Diamine

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Formula C17H17F3N6O
IUPAC Name 6-[[2-methoxy-5-(trifluoromethyl)anilino]methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
Molecular Mass 378.352 g·mol−1
Heat of Formation -488.5 ± 16.7 kJ·mol−1
Dipole Moment 7.07 ± 1.08 D
Volume 410.19 Å 3
Surface Area 366.43 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (2,4-diamino-5-methyl-pyrido[5,6-e]pyrimidin-6-yl)methyl-[2-methoxy-5-(trifluoromethyl)phenyl]amine
  • 6-[(2-methoxy-5-trifluoromethylphenylamino)methyl]-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
  • 6-[[[2-methoxy-5-(trifluoromethyl)phenyl]amino]methyl]-5-methyl-pyrido[3,2-e]pyrimidine-2,4-diamine
  • 6-[[[2-methoxy-5-(trifluoromethyl)phenyl]amino]methyl]-5-methylpyrido[3,2-e]pyrimidine-2,4-diamine
CAS Number(s)
  • 174654-98-9
InChIKey XNEOAXKYJADVSI-UHFFFAOYSA-N
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