ChemSpider 2D Image | (3R,4R)-1-[5-Fluoro-4-(methylamino)-2-pyrimidinyl]-3,4-dimethyl-3-pyrrolidinol | C11H17FN4O

(3R,4R)-1-[5-Fluoro-4-(methylamino)-2-pyrimidinyl]-3,4-dimethyl-3-pyrrolidinol

  • Molecular FormulaC11H17FN4O
  • Average mass240.277 Da
  • Monoisotopic mass240.138641 Da
  • ChemSpider ID29683413

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-1-[5-Fluor-4-(methylamino)-2-pyrimidinyl]-3,4-dimethyl-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3R,4R)-1-[5-Fluoro-4-(methylamino)-2-pyrimidinyl]-3,4-dimethyl-3-pyrrolidinol [ACD/IUPAC Name]
(3R,4R)-1-[5-Fluoro-4-(méthylamino)-2-pyrimidinyl]-3,4-diméthyl-3-pyrrolidinol [French] [ACD/IUPAC Name]
3-Pyrrolidinol, 1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-3,4-dimethyl-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-3,4-dimethyl-3-pyrrolidinol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 411.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 202.5±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 63.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 40.81
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.79
ACD/KOC (pH 7.4): 200.59
Polar Surface Area: 61 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 189.5±3.0 cm3

Click to predict properties on the Chemicalize site


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