ChemSpider 2D Image | 6-[({(2S)-1-Amino-4-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-butanyl}oxy)methyl]-4-methyl-2-pyridinamine | C18H27N5O2

6-[({(2S)-1-Amino-4-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-butanyl}oxy)methyl]-4-methyl-2-pyridinamine

  • Molecular FormulaC18H27N5O2
  • Average mass345.439 Da
  • Monoisotopic mass345.216461 Da
  • ChemSpider ID30833362
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Pyridinamine, 6-[[[(3S)-4-amino-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]butyl]oxy]methyl]-4-methyl- [ACD/Index Name]
6-[({(2S)-1-Amino-4-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-butanyl}oxy)methyl]-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-[({(2S)-1-Amino-4-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-butanyl}oxy)methyl]-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-[({(2S)-1-Amino-4-[(6-amino-4-méthyl-2-pyridinyl)méthoxy]-2-butanyl}oxy)méthyl]-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-[({(2s)-1-Amino-4-[(6-Amino-4-Methylpyridin-2-Yl)methoxy]butan-2-Yl}oxy)methyl]-4-Methylpyridin-2-Amine
10.1016/j.bmcl.2013.08.034

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 562.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.8±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 20.10
Polar Surface Area: 122 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 289.3±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement