ChemSpider 2D Image | 5-Chloro-N~2~-[4-isopropoxy-2-(4-piperidinyl)-5-pyrimidinyl]-N~4~-[2-(isopropylsulfonyl)phenyl]-2,4-pyrimidinediamine | C25H32ClN7O3S

5-Chloro-N2-[4-isopropoxy-2-(4-piperidinyl)-5-pyrimidinyl]-N4-[2-(isopropylsulfonyl)phenyl]-2,4-pyrimidinediamine

  • Molecular FormulaC25H32ClN7O3S
  • Average mass546.085 Da
  • Monoisotopic mass545.197571 Da
  • ChemSpider ID30831858

More details:

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

2,4-Pyrimidinediamine, 5-chloro-N2-[4-(1-methylethoxy)-2-(4-piperidinyl)-5-pyrimidinyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]- [ACD/Index Name]
5-Chlor-N2-[4-isopropoxy-2-(4-piperidinyl)-5-pyrimidinyl]-N4-[2-(isopropylsulfonyl)phenyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Chloro-N2-[4-isopropoxy-2-(4-piperidinyl)-5-pyrimidinyl]-N4-[2-(isopropylsulfonyl)phenyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Chloro-N2-[4-isopropoxy-2-(4-pipéridinyl)-5-pyrimidinyl]-N4-[2-(isopropylsulfonyl)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: 731.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.2±35.7 °C
Index of Refraction: 1.601
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.60
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 3.49
ACD/KOC (pH 7.4): 20.77
Polar Surface Area: 139 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 416.2±3.0 cm3

Click to predict properties on the Chemicalize site


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