ChemSpider 2D Image | N-(4-Chloro-2-methoxy-5-methylphenyl)-6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidinyl]-2-(3-pyridinyl)-4-pyrimidinamine | C27H29ClN6OS

N-(4-Chloro-2-methoxy-5-methylphenyl)-6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidinyl]-2-(3-pyridinyl)-4-pyrimidinamine

  • Molecular FormulaC27H29ClN6OS
  • Average mass521.077 Da
  • Monoisotopic mass520.181213 Da
  • ChemSpider ID121643370

More details:

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

4-Pyrimidinamine, N-(4-chloro-2-methoxy-5-methylphenyl)-6-[4-(4,5-dimethyl-2-thiazolyl)-1-piperidinyl]-2-(3-pyridinyl)- [ACD/Index Name]
N-(4-Chlor-2-methoxy-5-methylphenyl)-6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidinyl]-2-(3-pyridinyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
N-(4-Chloro-2-methoxy-5-methylphenyl)-6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidinyl]-2-(3-pyridinyl)-4-pyrimidinamine [ACD/IUPAC Name]
N-(4-Chloro-2-méthoxy-5-méthylphényl)-6-[4-(4,5-diméthyl-1,3-thiazol-2-yl)-1-pipéridinyl]-2-(3-pyridinyl)-4-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.0±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 146.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 2016.95
ACD/KOC (pH 5.5): 4048.44
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 20250.27
ACD/KOC (pH 7.4): 40646.58
Polar Surface Area: 104 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 404.4±3.0 cm3

Click to predict properties on the Chemicalize site


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