ChemSpider 2D Image | N-(3,5-Diisopropylphenyl)-2-[4-(2-methyl-2-propanyl)phenyl]-6-(3-phenoxy-1-piperidinyl)-4-pyrimidinamine | C37H46N4O

N-(3,5-Diisopropylphenyl)-2-[4-(2-methyl-2-propanyl)phenyl]-6-(3-phenoxy-1-piperidinyl)-4-pyrimidinamine

  • Molecular FormulaC37H46N4O
  • Average mass562.787 Da
  • Monoisotopic mass562.367188 Da
  • ChemSpider ID121559660

More details:

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

4-Pyrimidinamine, N-[3,5-bis(1-methylethyl)phenyl]-2-[4-(1,1-dimethylethyl)phenyl]-6-(3-phenoxy-1-piperidinyl)- [ACD/Index Name]
N-(3,5-Diisopropylphenyl)-2-[4-(2-methyl-2-propanyl)phenyl]-6-(3-phenoxy-1-piperidinyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
N-(3,5-Diisopropylphenyl)-2-[4-(2-methyl-2-propanyl)phenyl]-6-(3-phenoxy-1-piperidinyl)-4-pyrimidinamine [ACD/IUPAC Name]
N-(3,5-Diisopropylphényl)-2-[4-(2-méthyl-2-propanyl)phényl]-6-(3-phénoxy-1-pipéridinyl)-4-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 618.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 327.8±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 174.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.19
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 73982.37
ACD/KOC (pH 5.5): 39715.58
ACD/LogD (pH 7.4): 8.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 888113.94
Polar Surface Area: 50 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 515.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement