ChemSpider 2D Image | N-(Thiophen-3-ylmethyl)-4-(1-(o-tolyl)-1H-pyrazol-4-yl)pyrimidin-2-amine | C19H17N5S

N-(Thiophen-3-ylmethyl)-4-(1-(o-tolyl)-1H-pyrazol-4-yl)pyrimidin-2-amine

  • Molecular FormulaC19H17N5S
  • Average mass347.437 Da
  • Monoisotopic mass347.120453 Da
  • ChemSpider ID22415153

More details:

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

1185554-32-8 [RN]
2-Pyrimidinamine, 4-[1-(2-methylphenyl)-1H-pyrazol-4-yl]-N-(3-thienylmethyl)- [ACD/Index Name]
4-[1-(2-Methylphenyl)-1H-pyrazol-4-yl]-N-(3-thienylmethyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-[1-(2-Methylphenyl)-1H-pyrazol-4-yl]-N-(3-thienylmethyl)-2-pyrimidinamine [ACD/IUPAC Name]
4-[1-(2-Méthylphényl)-1H-pyrazol-4-yl]-N-(3-thiénylméthyl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
N-(Thiophen-3-ylmethyl)-4-(1-(o-tolyl)-1H-pyrazol-4-yl)pyrimidin-2-amine
4-[1-(2-METHYLPHENYL)-1H-PYRAZOL-4-YL]-N-[(THIOPHEN-3-YL)METHYL]PYRIMIDIN-2-AMINE
4-[1-(2-METHYLPHENYL)PYRAZOL-4-YL]-N-(THIOPHEN-3-YLMETHYL)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: 597.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.9±32.9 °C
Index of Refraction: 1.702
Molar Refractivity: 103.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1039.93
ACD/KOC (pH 5.5): 5020.40
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1043.53
ACD/KOC (pH 7.4): 5037.77
Polar Surface Area: 84 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 267.6±7.0 cm3

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