ChemSpider 2D Image | 1-{4-Amino-3-[2-(cyclopropyloxy)-6-quinolinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methyl-2-propanol | C21H22N6O2

1-{4-Amino-3-[2-(cyclopropyloxy)-6-quinolinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methyl-2-propanol

  • Molecular FormulaC21H22N6O2
  • Average mass390.438 Da
  • Monoisotopic mass390.180420 Da
  • ChemSpider ID35034487

More details:

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

1-{4-Amino-3-[2-(cyclopropyloxy)-6-chinolinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methyl-2-propanol [German] [ACD/IUPAC Name]
1-{4-Amino-3-[2-(cyclopropyloxy)-6-quinoléinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-méthyl-2-propanol [French] [ACD/IUPAC Name]
1-{4-Amino-3-[2-(cyclopropyloxy)-6-quinolinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methyl-2-propanol [ACD/IUPAC Name]
1-{4-Amino-3-[2-(Cyclopropyloxy)quinolin-6-Yl]-1h-Pyrazolo[3,4-D]pyrimidin-1-Yl}-2-Methylpropan-2-Ol
1H-Pyrazolo[3,4-d]pyrimidine-1-ethanol, 4-amino-3-[2-(cyclopropyloxy)-6-quinolinyl]-α,α-dimethyl- [ACD/Index Name]
UW2

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

Density: 1.5±0.1 g/cm3
Boiling Point: 643.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.1±31.5 °C
Index of Refraction: 1.754
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.10
ACD/KOC (pH 5.5): 394.40
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.10
ACD/KOC (pH 7.4): 407.45
Polar Surface Area: 112 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 261.7±7.0 cm3

Click to predict properties on the Chemicalize site


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