N~3~-(2,6-Dimethylphenyl)-1-(3-Methoxy-3-Methylbutyl)-N~6~-[4-(1-Piperazinyl)Phenyl]-1H-Pyrazolo[3,4-D]Pyrimidine-3,6-Diamine

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Formula C29H38N8O
IUPAC Name n3-(2,6-dimethylphenyl)-1-(3-methoxy-3-methyl-butyl)-n6-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-1-ium-3,6-diamine
Molecular Mass 514.665 g·mol−1
Heat of Formation 295.1 ± 16.7 kJ·mol−1
Dipole Moment 1.62 ± 1.08 D
Volume 640.54 Å 3
Surface Area 550.22 Å 2
HOMO Energy -7.97 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2,6-dimethylphenyl)-[1-(3-methoxy-3-methyl-butyl)-6-[(4-piperazin-1-ylphenyl)amino]pyrazolo[5,4-d]pyrimidin-3-yl]amine
  • n-(2,6-dimethylphenyl)-1-(3-methoxy-3-methyl-butyl)-n'-(4-piperazin-1-ylphenyl)pyrazolo[5,4-d]pyrimidine-3,6-diamine
  • n-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-n'-[4-(1-piperazinyl)phenyl]pyrazolo[5,4-d]pyrimidine-3,6-diamine
InChIKey RDCUCMDUDZPOOV-UHFFFAOYSA-N
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