ChemSpider 2D Image | 3-Bromo-1-methyl-4-[2-(2-pyrimidinyl)-1-piperidinyl]-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine | C15H18BrN7

3-Bromo-1-methyl-4-[2-(2-pyrimidinyl)-1-piperidinyl]-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC15H18BrN7
  • Average mass376.254 Da
  • Monoisotopic mass375.080688 Da
  • ChemSpider ID111210553

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-2,3-dihydro-1-methyl-4-[2-(2-pyrimidinyl)-1-piperidinyl]- [ACD/Index Name]
3-Brom-1-methyl-4-[2-(2-pyrimidinyl)-1-piperidinyl]-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
3-Bromo-1-methyl-4-[2-(2-pyrimidinyl)-1-piperidinyl]-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
3-Bromo-1-méthyl-4-[2-(2-pyrimidinyl)-1-pipéridinyl]-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC 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: 502.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 257.8±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 90.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 31.36
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 56.54
Polar Surface Area: 70 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 249.3±3.0 cm3

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