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

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

  • Molecular FormulaC17H22N6S
  • Average mass342.462 Da
  • Monoisotopic mass342.162659 Da
  • ChemSpider ID24841132

More details:

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

2-Pyrimidinamine, N-[(2-ethyl-4-thiazolyl)methyl]-4-(3-methyl-1-propyl-1H-pyrazol-4-yl)- [ACD/Index Name]
N-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-4-(3-methyl-1-propyl-1H-pyrazol-4-yl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-4-(3-methyl-1-propyl-1H-pyrazol-4-yl)-2-pyrimidinamine [ACD/IUPAC Name]
N-[(2-Éthyl-1,3-thiazol-4-yl)méthyl]-4-(3-méthyl-1-propyl-1H-pyrazol-4-yl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(3-methyl-1-propyl-1H-pyrazol-4-yl)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: 548.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.4±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 99.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.28
ACD/KOC (pH 5.5): 981.37
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.53
ACD/KOC (pH 7.4): 983.72
Polar Surface Area: 97 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 267.0±7.0 cm3

Click to predict properties on the Chemicalize site


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