ChemSpider 2D Image | 3-(Difluoromethoxy)-5-{2-(3,3-difluoro-1-pyrrolidinyl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-4-pyrimidinyl}-2-pyridinamine | C19H20F4N6O2

3-(Difluoromethoxy)-5-{2-(3,3-difluoro-1-pyrrolidinyl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-4-pyrimidinyl}-2-pyridinamine

  • Molecular FormulaC19H20F4N6O2
  • Average mass440.395 Da
  • Monoisotopic mass440.158386 Da
  • ChemSpider ID58916542

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinamine, 3-(difluoromethoxy)-5-[2-(3,3-difluoro-1-pyrrolidinyl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-4-pyrimidinyl]- [ACD/Index Name]
3-(Difluormethoxy)-5-{2-(3,3-difluor-1-pyrrolidinyl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-4-pyrimidinyl}-2-pyridinamin [German] [ACD/IUPAC Name]
3-(Difluoromethoxy)-5-{2-(3,3-difluoro-1-pyrrolidinyl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-4-pyrimidinyl}-2-pyridinamine [ACD/IUPAC Name]
3-(Difluorométhoxy)-5-{2-(3,3-difluoro-1-pyrrolidinyl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-4-pyrimidinyl}-2-pyridinamine [French] [ACD/IUPAC Name]
GDC-0134

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

Density: 1.5±0.1 g/cm3
Boiling Point: 626.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.6±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 100.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 2.63
ACD/KOC (pH 5.5): 44.29
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.28
ACD/KOC (pH 7.4): 206.65
Polar Surface Area: 90 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 284.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement