ChemSpider 2D Image | 3-Bromo-1-(2-methyl-2-propanyl)-N-[(5-methyl-2-pyrimidinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C15H18BrN7

3-Bromo-1-(2-methyl-2-propanyl)-N-[(5-methyl-2-pyrimidinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC15H18BrN7
  • Average mass376.254 Da
  • Monoisotopic mass375.080688 Da
  • ChemSpider ID68150357

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-bromo-1-(1,1-dimethylethyl)-N-[(5-methyl-2-pyrimidinyl)methyl]- [ACD/Index Name]
3-Brom-1-(2-methyl-2-propanyl)-N-[(5-methyl-2-pyrimidinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-Bromo-1-(2-methyl-2-propanyl)-N-[(5-methyl-2-pyrimidinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-Bromo-1-(2-méthyl-2-propanyl)-N-[(5-méthyl-2-pyrimidinyl)méthyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 530.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.8±30.1 °C
Index of Refraction: 1.701
Molar Refractivity: 93.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.29
ACD/KOC (pH 5.5): 960.85
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 103.82
ACD/KOC (pH 7.4): 965.73
Polar Surface Area: 81 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 242.1±7.0 cm3

Click to predict properties on the Chemicalize site


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