ChemSpider 2D Image | (3S,4R)-1-{[2-(Ethylamino)-5-pyrimidinyl]methyl}-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-3-pyrrolidinol | C16H24N6O

(3S,4R)-1-{[2-(Ethylamino)-5-pyrimidinyl]methyl}-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-3-pyrrolidinol

  • Molecular FormulaC16H24N6O
  • Average mass316.401 Da
  • Monoisotopic mass316.201172 Da
  • ChemSpider ID71353200

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-1-{[2-(Ethylamino)-5-pyrimidinyl]methyl}-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3S,4R)-1-{[2-(Ethylamino)-5-pyrimidinyl]methyl}-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-3-pyrrolidinol [ACD/IUPAC Name]
(3S,4R)-1-{[2-(Éthylamino)-5-pyrimidinyl]méthyl}-4-[(3-méthyl-1H-pyrazol-5-yl)méthyl]-3-pyrrolidinol [French] [ACD/IUPAC Name]
3-Pyrrolidinol, 1-[[2-(ethylamino)-5-pyrimidinyl]methyl]-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-, (3S,4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 562.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 294.2±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 89.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.96
Polar Surface Area: 90 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 76.5±3.0 dyne/cm
Molar Volume: 243.6±3.0 cm3

Click to predict properties on the Chemicalize site


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