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Search term: OAYGRXFKOOCTTP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Chloro-N~4~-[4-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine | C29H39ClN7O2P

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

  • Molecular FormulaC29H39ClN7O2P
  • Average mass584.092 Da
  • Monoisotopic mass583.259155 Da
  • ChemSpider ID58798277

More details:

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

2,4-Pyrimidinediamine, 5-chloro-N4-[4-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]- [ACD/Index Name]
5-Chlor-N4-[4-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Chloro-N4-[4-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Chloro-N4-[4-(diméthylphosphoryl)phényl]-N2-{2-méthoxy-4-[4-(4-méthyl-1-pipérazinyl)-1-pipéridinyl]phényl}-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
1197953-88-0 [RN]
2,4-Pyrimidinediamine, 5-chloro-N4-[4-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-
5-chloro-4-N-(4-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
ALK-IN-13

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

Density: 1.3±0.1 g/cm3
Boiling Point: 789.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 431.0±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: 0.43
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.33
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 6.00
ACD/KOC (pH 7.4): 60.51
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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