ChemSpider 2D Image | 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine6-((((3S | C19H27N5O2

5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine6-((((3S

  • Molecular FormulaC19H27N5O2
  • Average mass357.450 Da
  • Monoisotopic mass357.216461 Da
  • ChemSpider ID31135998
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-Pyridinamine, 6-[[[(3S,5R)-5-[[(6-amino-4-methyl-2-pyridinyl)methoxy]methyl]-3-pyrrolidinyl]oxy]methyl]-4-methyl- [ACD/Index Name]
5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine6-((((3S
6-({[(3S,5R)-5-{[(6-Amino-4-methyl-2-pyridinyl)methoxy]methyl}-3-pyrrolidinyl]oxy}methyl)-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-({[(3S,5R)-5-{[(6-Amino-4-methyl-2-pyridinyl)methoxy]methyl}-3-pyrrolidinyl]oxy}methyl)-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-({[(3S,5R)-5-{[(6-Amino-4-méthyl-2-pyridinyl)méthoxy]méthyl}-3-pyrrolidinyl]oxy}méthyl)-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-((((3s, 5r)-5-(((6-Amino-4-Methylpyridin-2-Yl)methoxy)methyl)pyrrolidin-3-Yl)oxy)methyl)-4-Methylpyridin-2-Amine
Q16

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

Density: 1.2±0.1 g/cm3
Boiling Point: 555.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.6±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 101.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -2.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.07
Polar Surface Area: 108 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 290.7±5.0 cm3

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