ChemSpider 2D Image | 5-(5-Iodo-2-isopropyl-4-methoxyphenoxy)-2-methyl-4-pyrimidinamine | C15H18IN3O2

5-(5-Iodo-2-isopropyl-4-methoxyphenoxy)-2-methyl-4-pyrimidinamine

  • Molecular FormulaC15H18IN3O2
  • Average mass399.227 Da
  • Monoisotopic mass399.044373 Da
  • ChemSpider ID24706960

More details:

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

4-Pyrimidinamine, 5-[5-iodo-4-methoxy-2-(1-methylethyl)phenoxy]-2-methyl- [ACD/Index Name]
5-(5-Iod-2-isopropyl-4-methoxyphenoxy)-2-methyl-4-pyrimidinamin [German] [ACD/IUPAC Name]
5-(5-Iodo-2-isopropyl-4-methoxyphenoxy)-2-methyl-4-pyrimidinamine [ACD/IUPAC Name]
5-(5-Iodo-2-isopropyl-4-méthoxyphénoxy)-2-méthyl-4-pyrimidinamine [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL493740/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 436.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 217.7±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 91.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 298.33
ACD/KOC (pH 5.5): 1706.76
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 567.61
ACD/KOC (pH 7.4): 3247.28
Polar Surface Area: 70 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 261.2±3.0 cm3

Click to predict properties on the Chemicalize site


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