N~3~-(4-Fluorophenyl)-1H-Pyrazolo[3,4-D]Pyrimidine-3,4-Diamine

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Properties Simple | Detailed

Formula C11H9FN6
IUPAC Name n3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-2-ium-3,4-diamine
Molecular Mass 244.228 g·mol−1
Heat of Formation 276.7 ± 16.7 kJ·mol−1
Dipole Moment 7.09 ± 1.08 D
Volume 266.98 Å 3
Surface Area 250.64 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • (4-amino-2h-pyrazolo[4,5-e]pyrimidin-3-yl)-(4-fluorophenyl)amine
  • 4-amino-5-(4-fluoroanilino)-pyrazolo[3,4-d]pyrimidine
  • cgp 57380
  • cgp57380
  • mnk1 inhibitor
  • n3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine
InChIKey UQPMANVRZYYQMD-UHFFFAOYSA-N
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Elements H C N F