ChemSpider 2D Image | 6-{4-[3-(4-Methoxyphenyl)propyl]-1-piperazinyl}-2-(2-methylphenyl)-N-[3-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine | C35H43N5O

6-{4-[3-(4-Methoxyphenyl)propyl]-1-piperazinyl}-2-(2-methylphenyl)-N-[3-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine

  • Molecular FormulaC35H43N5O
  • Average mass549.749 Da
  • Monoisotopic mass549.346741 Da
  • ChemSpider ID121418020

More details:

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

4-Pyrimidinamine, N-[3-(1,1-dimethylethyl)phenyl]-6-[4-[3-(4-methoxyphenyl)propyl]-1-piperazinyl]-2-(2-methylphenyl)- [ACD/Index Name]
6-{4-[3-(4-Methoxyphenyl)propyl]-1-piperazinyl}-2-(2-methylphenyl)-N-[3-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-{4-[3-(4-Methoxyphenyl)propyl]-1-piperazinyl}-2-(2-methylphenyl)-N-[3-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine [ACD/IUPAC Name]
6-{4-[3-(4-Méthoxyphényl)propyl]-1-pipérazinyl}-2-(2-méthylphényl)-N-[3-(2-méthyl-2-propanyl)phényl]-4-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 647.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.4±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 168.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 255.93
ACD/KOC (pH 5.5): 288.82
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 65286.82
ACD/KOC (pH 7.4): 73676.84
Polar Surface Area: 54 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 492.3±3.0 cm3

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