ChemSpider 2D Image | 2-(4-Ethoxyphenyl)-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-N-[3-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine | C36H42N6O

2-(4-Ethoxyphenyl)-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-N-[3-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID121589097

More details:

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

2-(4-Ethoxyphenyl)-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-N-[3-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
2-(4-Ethoxyphenyl)-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-N-[3-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine [ACD/IUPAC Name]
2-(4-Éthoxyphényl)-6-{4-[2-(1H-indol-3-yl)éthyl]-1-pipérazinyl}-N-[3-(2-méthyl-2-propanyl)phényl]-4-pyrimidinamine [French] [ACD/IUPAC Name]
4-Pyrimidinamine, N-[3-(1,1-dimethylethyl)phenyl]-2-(4-ethoxyphenyl)-6-[4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 693.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.0±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 176.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 89.52
ACD/KOC (pH 5.5): 117.46
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 33088.72
ACD/KOC (pH 7.4): 43415.35
Polar Surface Area: 69 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 488.4±3.0 cm3

Click to predict properties on the Chemicalize site


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