ChemSpider 2D Image | 5-Chloro-N~2~-(3-methyl-2-butanyl)-N~4~-(1,3-thiazol-2-yl)-2,4-pyrimidinediamine | C12H16ClN5S

5-Chloro-N2-(3-methyl-2-butanyl)-N4-(1,3-thiazol-2-yl)-2,4-pyrimidinediamine

  • Molecular FormulaC12H16ClN5S
  • Average mass297.807 Da
  • Monoisotopic mass297.081482 Da
  • ChemSpider ID24808649

More details:

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

2,4-Pyrimidinediamine, 5-chloro-N2-(1,2-dimethylpropyl)-N4-2-thiazolyl- [ACD/Index Name]
5-Chlor-N2-(3-methyl-2-butanyl)-N4-(1,3-thiazol-2-yl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Chloro-N2-(3-methyl-2-butanyl)-N4-(1,3-thiazol-2-yl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Chloro-N2-(3-méthyl-2-butanyl)-N4-(1,3-thiazol-2-yl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
Kinome_2433

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

Density: 1.3±0.1 g/cm3
Boiling Point: 441.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 220.9±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 81.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 204.34
ACD/KOC (pH 5.5): 1566.68
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 204.94
ACD/KOC (pH 7.4): 1571.32
Polar Surface Area: 91 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 222.8±3.0 cm3

Click to predict properties on the Chemicalize site


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