ChemSpider 2D Image | N~4~-(2,4-Dimethylphenyl)-N~6~-(2-methoxyethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine | C17H22N6O

N4-(2,4-Dimethylphenyl)-N6-(2-methoxyethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

  • Molecular FormulaC17H22N6O
  • Average mass326.396 Da
  • Monoisotopic mass326.185516 Da
  • ChemSpider ID21793519

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine, N4-(2,4-dimethylphenyl)-N6-(2-methoxyethyl)-1-methyl- [ACD/Index Name]
N4-(2,4-Dimethylphenyl)-N6-(2-methoxyethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4,6-diamin [German] [ACD/IUPAC Name]
N4-(2,4-Dimethylphenyl)-N6-(2-methoxyethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine [ACD/IUPAC Name]
N4-(2,4-Diméthylphényl)-N6-(2-méthoxyéthyl)-1-méthyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine [French] [ACD/IUPAC Name]
4-N-(2,4-dimethylphenyl)-6-N-(2-methoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
N*4*-(2,4-Dimethyl-phenyl)-N*6*-(2-methoxy-ethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 536.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 277.9±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 152.73
ACD/KOC (pH 5.5): 1235.34
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.56
ACD/KOC (pH 7.4): 1371.45
Polar Surface Area: 77 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 258.1±7.0 cm3

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