ChemSpider 2D Image | 2-Cyclopropyl-6-(cis-3-{[4-(dimethylamino)-5-fluoro-2-pyrimidinyl]amino}cyclobutyl)-4(3H)-pyrimidinone | C17H21FN6O

2-Cyclopropyl-6-(cis-3-{[4-(dimethylamino)-5-fluoro-2-pyrimidinyl]amino}cyclobutyl)-4(3H)-pyrimidinone

  • Molecular FormulaC17H21FN6O
  • Average mass344.387 Da
  • Monoisotopic mass344.176086 Da
  • ChemSpider ID35075595

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Cyclopropyl-6-(cis-3-{[4-(dimethylamino)-5-fluor-2-pyrimidinyl]amino}cyclobutyl)-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
2-Cyclopropyl-6-(cis-3-{[4-(dimethylamino)-5-fluoro-2-pyrimidinyl]amino}cyclobutyl)-4(3H)-pyrimidinone [ACD/IUPAC Name]
2-Cyclopropyl-6-(cis-3-{[4-(diméthylamino)-5-fluoro-2-pyrimidinyl]amino}cyclobutyl)-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
4(3H)-Pyrimidinone, 2-cyclopropyl-6-[cis-3-[[4-(dimethylamino)-5-fluoro-2-pyrimidinyl]amino]cyclobutyl]- [ACD/Index Name]
2-cyclopropyl-6-(cis-3-{[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino}cyclobutyl)pyrimidin-4(3H)-one

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.735
Molar Refractivity: 90.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.58
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 3.93
ACD/KOC (pH 7.4): 89.52
Polar Surface Area: 83 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 225.0±7.0 cm3

Click to predict properties on the Chemicalize site


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