ChemSpider 2D Image | N-{[(1R,2R)-2-(3-Fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethanamine | C19H20FN5

N-{[(1R,2R)-2-(3-Fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethanamine

  • Molecular FormulaC19H20FN5
  • Average mass337.394 Da
  • Monoisotopic mass337.170288 Da
  • ChemSpider ID35035668

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Pyrimidineethanamine, N-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl]-2-(1H-imidazol-1-yl)- [ACD/Index Name]
N-{[(1R,2R)-2-(3-Fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethanamine [ACD/IUPAC Name]
N-{[(1R,2R)-2-(3-Fluorophényl)cyclopropyl]méthyl}-2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]éthanamine [French] [ACD/IUPAC Name]
N-{[(1r,2r)-2-(3-Fluorophenyl)cyclopropyl]methyl}-2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethanamine
N-{[(1R,2R)-2-(3-Fluorphenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethanamin [German] [ACD/IUPAC Name]
9HL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 550.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.5±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 96.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 56 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 256.9±7.0 cm3

Click to predict properties on the Chemicalize site


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