6-{[(3,4,5-Trichlorophenyl)Amino]Methyl}Pyrido[2,3-D]Pyrimidine-2,4-Diamine

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Formula C14H11Cl3N6
IUPAC Name 6-[(3,4,5-trichloroanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Molecular Mass 369.636 g·mol−1
Heat of Formation 263.7 ± 16.7 kJ·mol−1
Dipole Moment 7.39 ± 1.08 D
Volume 376.67 Å 3
Surface Area 346.59 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2,4-diaminopyrido[6,5-d]pyrimidin-6-yl)methyl-(3,4,5-trichlorophenyl)amine
  • 2,4-diamino-6-[(3',4',5'-trichloroanilino)methyl]pyrido[2,3-d]pyrimidine
  • 6-[[(3,4,5-trichlorophenyl)amino]methyl]pyrido[3,2-e]pyrimidine-2,4-diamine
InChIKey YBAHCADCDYNXKD-UHFFFAOYSA-N
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Elements H C N Cl