ChemSpider 2D Image | 5-Chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]phenyl}-2,4-pyrimidinediamine | C29H39ClN7O2P

5-Chloro-N4-[2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]phenyl}-2,4-pyrimidinediamine

  • Molecular FormulaC29H39ClN7O2P
  • Average mass584.092 Da
  • Monoisotopic mass583.259155 Da
  • ChemSpider ID58877387

More details:

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

2,4-Pyrimidinediamine, 5-chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]phenyl]- [ACD/Index Name]
5-Chlor-N4-[2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]phenyl}-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Chloro-N4-[2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]phenyl}-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Chloro-N4-[2-(diméthylphosphoryl)phényl]-N2-{2-méthoxy-4-[4-(1-méthyl-4-pipéridinyl)-1-pipérazinyl]phényl}-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 772.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 420.7±35.7 °C
Index of Refraction: 1.641
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.14
Polar Surface Area: 96 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 443.6±5.0 cm3

Click to predict properties on the Chemicalize site


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