N~8~-(3-Chloro-4-Fluorophenyl)-N~2~-(1-Methyl-4-Piperidinyl)Pyrimido[5,4-D]Pyrimidine-2,8-Diamine

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Properties Simple | Detailed

Formula C18H19ClFN7
IUPAC Name n4-(3-chloro-4-fluoro-phenyl)-n6-(1-methyl-4-piperidyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
Molecular Mass 387.842 g·mol−1
Heat of Formation 177.8 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 433.06 Å 3
Surface Area 382.18 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[(3-chloro-4-fluoro-phenyl)amino]pyrimido[4,5-e]pyrimidin-6-yl]-(1-methyl-4-piperidyl)amine
  • bibx-1382
  • bibx-1382bs
  • falnidamol
  • n-(3-chloro-4-fluoro-phenyl)-n'-(1-methyl-4-piperidyl)pyrimido[4,5-e]pyrimidine-4,6-diamine
  • n-(3-chloro-4-fluoro-phenyl)-n'-(1-methylpiperidin-4-yl)pyrimido[4,5-e]pyrimidine-4,6-diamine
  • n-(3-chloro-4-fluorophenyl)-n'-(1-methyl-4-piperidinyl)pyrimido[4,5-e]pyrimidine-4,6-diamine
  • n-(3-chloro-4-fluorophenyl)-n'-(1-methylpiperidin-4-yl)pyrimido[4,5-e]pyrimidine-4,6-diamine
InChIKey FTFRZXFNZVCRSK-UHFFFAOYSA-N
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Elements H N F C Cl