ChemSpider 2D Image | 5-Chloro-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-(5-methyl-1H-pyrazol-3-yl)-2,4-pyrimidinediamine | C13H14ClN7O

5-Chloro-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N4-(5-methyl-1H-pyrazol-3-yl)-2,4-pyrimidinediamine

  • Molecular FormulaC13H14ClN7O
  • Average mass319.750 Da
  • Monoisotopic mass319.094849 Da
  • ChemSpider ID28523613

More details:

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

2,4-Pyrimidinediamine, 5-chloro-N2-[(3-methyl-5-isoxazolyl)methyl]-N4-(5-methyl-1H-pyrazol-3-yl)- [ACD/Index Name]
5-Chloro-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N4-(5-methyl-1H-pyrazol-3-yl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Chlor-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N4-(5-methyl-1H-pyrazol-3-yl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Chloro-N2-[(3-méthyl-1,2-oxazol-5-yl)méthyl]-N4-(5-méthyl-1H-pyrazol-3-yl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 616.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.8±34.3 °C
Index of Refraction: 1.707
Molar Refractivity: 83.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.15
ACD/KOC (pH 5.5): 443.83
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.42
ACD/KOC (pH 7.4): 447.29
Polar Surface Area: 105 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 76.3±3.0 dyne/cm
Molar Volume: 214.1±3.0 cm3

Click to predict properties on the Chemicalize site


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