ChemSpider 2D Image | 4-(3-Methyl-1-propyl-1H-pyrazol-4-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrimidinamine | C17H22N6S

4-(3-Methyl-1-propyl-1H-pyrazol-4-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrimidinamine

  • Molecular FormulaC17H22N6S
  • Average mass342.462 Da
  • Monoisotopic mass342.162659 Da
  • ChemSpider ID24841743

More details:

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

2-Pyrimidinamine, 4-(3-methyl-1-propyl-1H-pyrazol-4-yl)-N-[1-(2-methyl-4-thiazolyl)ethyl]- [ACD/Index Name]
4-(3-Methyl-1-propyl-1H-pyrazol-4-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-(3-Methyl-1-propyl-1H-pyrazol-4-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrimidinamine [ACD/IUPAC Name]
4-(3-Méthyl-1-propyl-1H-pyrazol-4-yl)-N-[1-(2-méthyl-1,3-thiazol-4-yl)éthyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
4-(3-methyl-1-propyl-1H-pyrazol-4-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 538.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 279.5±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 99.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 109.65
ACD/KOC (pH 5.5): 1003.49
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.95
ACD/KOC (pH 7.4): 1006.24
Polar Surface Area: 97 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 266.1±7.0 cm3

Click to predict properties on the Chemicalize site


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