ChemSpider 2D Image | 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C16H18BrN5

3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC16H18BrN5
  • Average mass360.252 Da
  • Monoisotopic mass359.074554 Da
  • ChemSpider ID25057059

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-[(3-bromophenyl)methyl]-1-(1,1-dimethylethyl)- [ACD/Index Name]
3-(3-Brombenzyl)-1-(2-methyl-2-propanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-(3-Bromobenzyl)-1-(2-methyl-2-propanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-(3-Bromobenzyl)-1-(2-méthyl-2-propanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1-tert-butyl-3-(3-bromobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine
2-Bromo-5-methyl-3-nitropyridine [ACD/IUPAC Name]
2-Bromo-5-methyl-3-nitro-pyridine
3-[(3-Bromophenyl)methyl]-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
3-[(3-bromophenyl)methyl]-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
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  • Miscellaneous

    • Chemical Class:

      A member of the class of pyrazolopyrimidines that is pyrazolo[3,4-d]pyrimidin-4-amine bearing additional tert-butyl and 3-bromobenzyl substituents at positions 1 and 3 respectively. It is an ATP-compe titive inhibitor of CDPK1 and AKT kinase. ChEBI CHEBI:194136

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 510.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.4±28.7 °C
Index of Refraction: 1.679
Molar Refractivity: 91.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 454.27
ACD/KOC (pH 5.5): 2654.86
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 531.56
ACD/KOC (pH 7.4): 3106.61
Polar Surface Area: 70 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 241.7±7.0 cm3

Click to predict properties on the Chemicalize site


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