ChemSpider 2D Image | 5-(4-Chlorobenzyl)-2,6-dimethyl-N-[3-methyl-1-(4-methyl-2-quinolinyl)-1H-pyrazol-5-yl]-4-pyrimidinamine | C27H25ClN6

5-(4-Chlorobenzyl)-2,6-dimethyl-N-[3-methyl-1-(4-methyl-2-quinolinyl)-1H-pyrazol-5-yl]-4-pyrimidinamine

  • Molecular FormulaC27H25ClN6
  • Average mass468.981 Da
  • Monoisotopic mass468.182922 Da
  • ChemSpider ID34736862

More details:






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

4-Pyrimidinamine, 5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[3-methyl-1-(4-methyl-2-quinolinyl)-1H-pyrazol-5-yl]- [ACD/Index Name]
5-(4-Chlorbenzyl)-2,6-dimethyl-N-[3-methyl-1-(4-methyl-2-chinolinyl)-1H-pyrazol-5-yl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
5-(4-Chlorobenzyl)-2,6-diméthyl-N-[3-méthyl-1-(4-méthyl-2-quinoléinyl)-1H-pyrazol-5-yl]-4-pyrimidinamine [French] [ACD/IUPAC Name]
5-(4-Chlorobenzyl)-2,6-dimethyl-N-[3-methyl-1-(4-methyl-2-quinolinyl)-1H-pyrazol-5-yl]-4-pyrimidinamine [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 648.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 346.1±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 137.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.60
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 3137.21
ACD/KOC (pH 5.5): 4806.16
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 47820.76
ACD/KOC (pH 7.4): 73260.77
Polar Surface Area: 69 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 364.4±7.0 cm3

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