ChemSpider 2D Image | 4-[(4-Chlorophenyl)sulfanyl]-5-phenyl-6-(1-piperidinyl)-2-pyrimidinamine | C21H21ClN4S

4-[(4-Chlorophenyl)sulfanyl]-5-phenyl-6-(1-piperidinyl)-2-pyrimidinamine

  • Molecular FormulaC21H21ClN4S
  • Average mass396.936 Da
  • Monoisotopic mass396.117554 Da
  • ChemSpider ID21131952

More details:

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

2-Pyrimidinamine, 4-[(4-chlorophenyl)thio]-5-phenyl-6-(1-piperidinyl)- [ACD/Index Name]
4-[(4-Chlorophenyl)sulfanyl]-5-phenyl-6-(1-piperidinyl)-2-pyrimidinamine [ACD/IUPAC Name]
4-[(4-Chlorophényl)sulfanyl]-5-phényl-6-(1-pipéridinyl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
4-[(4-Chlorphenyl)sulfanyl]-5-phenyl-6-(1-piperidinyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-[(4-Chlorophenyl)sulfanyl]-5-phenyl-6-(piperidin-1-yl)pyrimidin-2-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.6±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 113.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 16.22
ACD/KOC (pH 5.5): 69.34
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 74.39
ACD/KOC (pH 7.4): 318.05
Polar Surface Area: 77 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 297.3±7.0 cm3

Click to predict properties on the Chemicalize site


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