1-Nm-Pp1

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Properties Simple | Detailed

Formula C20H21N5
IUPAC Name 1-tert-butyl-3-(1-naphthylmethyl)pyrazolo[3,4-d]pyrimidin-1-ium-2-id-4-amine
Molecular Mass 331.414 g·mol−1
Heat of Formation 374.1 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 408.45 Å 3
Surface Area 338.92 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 1-tert-butyl-3-(1-naphthylmethyl)-4-pyrazolo[4,5-e]pyrimidinamine
  • 1-tert-butyl-3-(1-naphthylmethyl)pyrazolo[4,5-e]pyrimidin-4-amine
  • 1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[4,5-e]pyrimidin-4-amine
  • 4-amino-1-tert-butyl-3-(1′-naphthylmethyl)pyrazolo[3,4-d]pyrimidine
  • [1-tert-butyl-3-(1-naphthylmethyl)pyrazolo[4,5-e]pyrimidin-4-yl]amine
  • mutant kinases inhibitor ii
  • pp1 analog ii, 1nm-pp1
InChIKey GDQXJQSQYMMKRA-UHFFFAOYSA-N
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