ChemSpider 2D Image | compound 21 [PMID: 23312943] | C22H26Cl2N6O

compound 21 [PMID: 23312943]

  • Molecular FormulaC22H26Cl2N6O
  • Average mass461.387 Da
  • Monoisotopic mass460.154510 Da
  • ChemSpider ID29398620

More details:

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

2,4-Pyrimidinediamine, N2-(3,5-dichlorophenyl)-N4-[4-(dimethylamino)cyclohexyl]-5-(3-methyl-5-isoxazolyl)- [ACD/Index Name]
compound 21 [PMID: 23312943]
N2-(3,5-Dichlorophenyl)-N4-[4-(dimethylamino)cyclohexyl]-5-(3-methyl-1,2-oxazol-5-yl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
N2-(3,5-Dichlorophényl)-N4-[4-(diméthylamino)cyclohexyl]-5-(3-méthyl-1,2-oxazol-5-yl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
N2-(3,5-Dichlorphenyl)-N4-[4-(dimethylamino)cyclohexyl]-5-(3-methyl-1,2-oxazol-5-yl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
2-N-(3,5-dichlorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidine-2,4-diamine
compound 21 [PMID 23312943]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 649.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.4±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 122.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 4.23
ACD/KOC (pH 5.5): 12.58
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 12.05
ACD/KOC (pH 7.4): 35.79
Polar Surface Area: 79 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 341.6±5.0 cm3

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