3-(2,5-Dimethylbenzyl)-1-(2-Methyl-2-Propanyl)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C18H23N5
IUPAC Name 1-tert-butyl-3-[(2,5-dimethylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-ium-5-id-4-amine
Molecular Mass 309.409 g·mol−1
Heat of Formation 219.2 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 390.79 Å 3
Surface Area 332.17 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • 1-tert-butyl-3-[(2,5-dimethylphenyl)methyl]-4-pyrazolo[4,5-e]pyrimidinamine
  • [1-tert-butyl-3-(2,5-dimethylbenzyl)pyrazolo[4,5-e]pyrimidin-4-yl]amine
  • k10
InChIKey QUPXEJURIFFVSX-UHFFFAOYSA-N
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Elements H C N