ChemSpider 2D Image | 6-{4-[2-(2-Methoxyphenyl)ethyl]-1-piperazinyl}-2-(3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine | C29H29F3N6O

6-{4-[2-(2-Methoxyphenyl)ethyl]-1-piperazinyl}-2-(3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine

  • Molecular FormulaC29H29F3N6O
  • Average mass534.575 Da
  • Monoisotopic mass534.235474 Da
  • ChemSpider ID121582850

More details:

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

4-Pyrimidinamine, 6-[4-[2-(2-methoxyphenyl)ethyl]-1-piperazinyl]-2-(3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
6-{4-[2-(2-Methoxyphenyl)ethyl]-1-piperazinyl}-2-(3-pyridinyl)-N-[3-(trifluormethyl)phenyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-{4-[2-(2-Methoxyphenyl)ethyl]-1-piperazinyl}-2-(3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine [ACD/IUPAC Name]
6-{4-[2-(2-Méthoxyphényl)éthyl]-1-pipérazinyl}-2-(3-pyridinyl)-N-[3-(trifluorométhyl)phényl]-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: 595.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.8±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 143.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 46.73
ACD/KOC (pH 5.5): 116.57
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 5368.28
ACD/KOC (pH 7.4): 13391.07
Polar Surface Area: 66 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 419.5±3.0 cm3

Click to predict properties on the Chemicalize site


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