ChemSpider 2D Image | 2-[{[(3R,4R)-1-{[2-(Dimethylamino)-5-pyrimidinyl]methyl}-4-(hydroxymethyl)-3-pyrrolidinyl]methyl}(methyl)amino]ethanol | C16H29N5O2

2-[{[(3R,4R)-1-{[2-(Dimethylamino)-5-pyrimidinyl]methyl}-4-(hydroxymethyl)-3-pyrrolidinyl]methyl}(methyl)amino]ethanol

  • Molecular FormulaC16H29N5O2
  • Average mass323.434 Da
  • Monoisotopic mass323.232117 Da
  • ChemSpider ID29442656

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[{[(3R,4R)-1-{[2-(Dimethylamino)-5-pyrimidinyl]methyl}-4-(hydroxymethyl)-3-pyrrolidinyl]methyl}(methyl)amino]ethanol [German] [ACD/IUPAC Name]
2-[{[(3R,4R)-1-{[2-(Dimethylamino)-5-pyrimidinyl]methyl}-4-(hydroxymethyl)-3-pyrrolidinyl]methyl}(methyl)amino]ethanol [ACD/IUPAC Name]
2-[{[(3R,4R)-1-{[2-(Diméthylamino)-5-pyrimidinyl]méthyl}-4-(hydroxyméthyl)-3-pyrrolidinyl]méthyl}(méthyl)amino]éthanol [French] [ACD/IUPAC Name]
3-Pyrrolidinemethanol, 1-[[2-(dimethylamino)-5-pyrimidinyl]methyl]-4-[[(2-hydroxyethyl)methylamino]methyl]-, (3R,4R)- [ACD/Index Name]
2-[{[(3R*,4R*)-1-{[2-(dimethylamino)pyrimidin-5-yl]methyl}-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}(methyl)amino]ethanol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.6±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.6±30.9 °C
Index of Refraction: 1.578
Molar Refractivity: 91.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -4.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 276.4±3.0 cm3

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