ChemSpider 2D Image | 2-Methyl-2-propanyl {1-[(3-bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methyl-2-butanyl}carbamate | C16H25BrN6O2

2-Methyl-2-propanyl {1-[(3-bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methyl-2-butanyl}carbamate

  • Molecular FormulaC16H25BrN6O2
  • Average mass413.313 Da
  • Monoisotopic mass412.122223 Da
  • ChemSpider ID69897709

More details:

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

{1-[(3-Bromo-1-méthyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-méthyl-2-butanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {1-[(3-bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methyl-2-butanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[(3-brom-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[(3-bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-2-methylpropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 556.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.6±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 99.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 193.47
ACD/KOC (pH 5.5): 1504.93
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 194.79
ACD/KOC (pH 7.4): 1515.16
Polar Surface Area: 94 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 284.0±7.0 cm3

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