ChemSpider 2D Image | N-[2-Fluoro-4-(4-pyridinyl)benzyl]-2-pyrimidinamine | C16H13FN4

N-[2-Fluoro-4-(4-pyridinyl)benzyl]-2-pyrimidinamine

  • Molecular FormulaC16H13FN4
  • Average mass280.300 Da
  • Monoisotopic mass280.112427 Da
  • ChemSpider ID35101974

More details:

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

2-Pyrimidinamine, N-[[2-fluoro-4-(4-pyridinyl)phenyl]methyl]- [ACD/Index Name]
N-[2-Fluor-4-(4-pyridinyl)benzyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-[2-Fluoro-4-(4-pyridinyl)benzyl]-2-pyrimidinamine [ACD/IUPAC Name]
N-[2-Fluoro-4-(4-pyridinyl)benzyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
N-{[2-FLUORO-4-(PYRIDIN-4-YL)PHENYL]METHYL}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: 481.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.8±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 79.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 82.96
ACD/KOC (pH 5.5): 802.35
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.43
ACD/KOC (pH 7.4): 874.59
Polar Surface Area: 51 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 218.8±3.0 cm3

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