ChemSpider 2D Image | 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-[6-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]urea | C26H31Cl2N7O3

3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-[6-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]urea

  • Molecular FormulaC26H31Cl2N7O3
  • Average mass560.475 Da
  • Monoisotopic mass559.186523 Da
  • ChemSpider ID26616333

More details:

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

3-(2,6-Dichlor-3,5-dimethoxyphenyl)-1-methyl-1-[6-({3-[(4-methyl-1-piperazinyl)methyl]phenyl}amino)-4-pyrimidinyl]harnstoff [German] [ACD/IUPAC Name]
3-(2,6-Dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-({3-[(4-methyl-1-piperazinyl)methyl]phenyl}amino)-4-pyrimidinyl]urea [ACD/IUPAC Name]
3-(2,6-Dichloro-3,5-diméthoxyphényl)-1-méthyl-1-[6-({3-[(4-méthyl-1-pipérazinyl)méthyl]phényl}amino)-4-pyrimidinyl]urée [French] [ACD/IUPAC Name]
Urea, N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-N-[6-[[3-[(4-methyl-1-piperazinyl)methyl]phenyl]amino]-4-pyrimidinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 726.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 393.0±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 151.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 5.46
ACD/KOC (pH 5.5): 26.91
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 335.59
ACD/KOC (pH 7.4): 1654.05
Polar Surface Area: 95 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 410.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement