ChemSpider 2D Image | 5-Chloro-N~2~-[2-isopropoxy-5-methyl-4-(4-piperidinyl)phenyl]-N~4~-[2-(2-thienyl)ethyl]-2,4-pyrimidinediamine | C25H32ClN5OS

5-Chloro-N2-[2-isopropoxy-5-methyl-4-(4-piperidinyl)phenyl]-N4-[2-(2-thienyl)ethyl]-2,4-pyrimidinediamine

  • Molecular FormulaC25H32ClN5OS
  • Average mass486.073 Da
  • Monoisotopic mass485.201599 Da
  • ChemSpider ID127425766

More details:

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

2,4-Pyrimidinediamine, 5-chloro-N2-[5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)phenyl]-N4-[2-(2-thienyl)ethyl]- [ACD/Index Name]
5-Chlor-N2-[2-isopropoxy-5-methyl-4-(4-piperidinyl)phenyl]-N4-[2-(2-thienyl)ethyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Chloro-N2-[2-isopropoxy-5-methyl-4-(4-piperidinyl)phenyl]-N4-[2-(2-thienyl)ethyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Chloro-N2-[2-isopropoxy-5-méthyl-4-(4-pipéridinyl)phényl]-N4-[2-(2-thiényl)éthyl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4476264/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 674.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.4±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 139.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 4.56
ACD/KOC (pH 5.5): 13.08
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 15.54
ACD/KOC (pH 7.4): 44.59
Polar Surface Area: 99 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 390.9±3.0 cm3

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