1-Tert-Butyl-3-(4-Chlorophenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C15H16ClN5
IUPAC Name 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-ium-2-id-4-amine
Molecular Mass 301.774 g·mol−1
Heat of Formation 283.0 ± 16.7 kJ·mol−1
Dipole Moment 0.55 ± 1.08 D
Volume 350.96 Å 3
Surface Area 309.37 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(tert-butyl)-3-(4-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
  • 1-tert-butyl-3-(4-chlorophenyl)-4-pyrazolo[4,5-e]pyrimidinamine
  • 11l-313s
  • 1h-pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-
  • 1h-pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)- (9ci)
  • 4-amino-5-(4-chlorophenyl)-7-(t-butyl)pyrazolo[3,4-d]pyrimidine
  • 9-(4-chlorophenyl)-7-tert-butyl-3,5,8-triaza-7-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-amine
  • [1-tert-butyl-3-(4-chlorophenyl)pyrazolo[4,5-e]pyrimidin-4-yl]amine
  • ag 1879
  • ag1879
  • agl 1879
  • bio2_000399
  • bio2_000879
  • biomolki2_000058
  • biomolki_000052
  • insolution™ pp2
  • k00048
  • oprea1_738267
  • pp 2
  • pp 2 (enzyme inhibitor)
  • pp2-ag1879
  • qtl1_000068
CAS Number(s)
  • 172889-27-9
InChIKey PBBRWFOVCUAONR-UHFFFAOYSA-N
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Elements H C N Cl