ChemSpider 2D Image | 3,3-Difluoro-8-[4-fluoro-3-(3-pyridinyl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine | C25H22F3N5O

3,3-Difluoro-8-[4-fluoro-3-(3-pyridinyl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine

  • Molecular FormulaC25H22F3N5O
  • Average mass465.470 Da
  • Monoisotopic mass465.177643 Da
  • ChemSpider ID28493382

More details:

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

3,3-Difluor-8-[4-fluor-3-(3-pyridinyl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amin [German] [ACD/IUPAC Name]
3,3-Difluoro-8-[4-fluoro-3-(3-pyridinyl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine [ACD/IUPAC Name]
3,3-Difluoro-8-[4-fluoro-3-(3-pyridinyl)phényl]-8-(4-méthoxy-3-méthylphényl)-2,3,4,8-tétrahydroimidazo[1,5-a]pyrimidin-6-amine [French] [ACD/IUPAC Name]
Imidazo[1,5-a]pyrimidin-6-amine, 3,3-difluoro-8-[4-fluoro-3-(3-pyridinyl)phenyl]-2,3,4,8-tetrahydro-8-(4-methoxy-3-methylphenyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 597.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.4±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 121.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 82.95
ACD/KOC (pH 5.5): 738.08
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.72
ACD/KOC (pH 7.4): 1074.08
Polar Surface Area: 76 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 337.9±7.0 cm3

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