ChemSpider 2D Image | [2-Chloro-4-(6-ethyl-5-{[6-(methylamino)-3-pyridinyl]ethynyl}-4-pyrimidinyl)phenyl][4-(2-hydroxy-2-propanyl)-1-piperidinyl]methanone | C29H32ClN5O2

[2-Chloro-4-(6-ethyl-5-{[6-(methylamino)-3-pyridinyl]ethynyl}-4-pyrimidinyl)phenyl][4-(2-hydroxy-2-propanyl)-1-piperidinyl]methanone

  • Molecular FormulaC29H32ClN5O2
  • Average mass518.050 Da
  • Monoisotopic mass517.224426 Da
  • ChemSpider ID58950814

More details:

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

[2-Chlor-4-(6-ethyl-5-{[6-(methylamino)-3-pyridinyl]ethinyl}-4-pyrimidinyl)phenyl][4-(2-hydroxy-2-propanyl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
[2-Chloro-4-(6-ethyl-5-{[6-(methylamino)-3-pyridinyl]ethynyl}-4-pyrimidinyl)phenyl][4-(2-hydroxy-2-propanyl)-1-piperidinyl]methanone [ACD/IUPAC Name]
[2-Chloro-4-(6-éthyl-5-{[6-(méthylamino)-3-pyridinyl]éthynyl}-4-pyrimidinyl)phényl][4-(2-hydroxy-2-propanyl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [2-chloro-4-[6-ethyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyrimidinyl]phenyl][4-(1-hydroxy-1-methylethyl)-1-piperidinyl]- [ACD/Index 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: 739.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 401.0±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 514.66
ACD/KOC (pH 5.5): 2539.91
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 955.18
ACD/KOC (pH 7.4): 4713.97
Polar Surface Area: 91 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 398.0±5.0 cm3

Click to predict properties on the Chemicalize site


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