ChemSpider 2D Image | 2-(4-Ethoxyphenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-6-[4-(4-morpholinylmethyl)-1-piperidinyl]-4-pyrimidinamine | C33H45N7O2

2-(4-Ethoxyphenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-6-[4-(4-morpholinylmethyl)-1-piperidinyl]-4-pyrimidinamine

  • Molecular FormulaC33H45N7O2
  • Average mass571.756 Da
  • Monoisotopic mass571.363464 Da
  • ChemSpider ID121549881

More details:

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

2-(4-Ethoxyphenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-6-[4-(4-morpholinylmethyl)-1-piperidinyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
2-(4-Ethoxyphenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-6-[4-(4-morpholinylmethyl)-1-piperidinyl]-4-pyrimidinamine [ACD/IUPAC Name]
2-(4-Éthoxyphényl)-N-[4-(4-méthyl-1-pipérazinyl)phényl]-6-[4-(4-morpholinylméthyl)-1-pipéridinyl]-4-pyrimidinamine [French] [ACD/IUPAC Name]
4-Pyrimidinamine, 2-(4-ethoxyphenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-6-[4-(4-morpholinylmethyl)-1-piperidinyl]- [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: 682.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.6±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 167.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.20
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 58.74
ACD/KOC (pH 7.4): 377.78
Polar Surface Area: 69 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 485.5±3.0 cm3

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