ChemSpider 2D Image | (R)-2-((1-(2-(3-(2-Fluoroethoxy)-4-Methoxyphenyl)-5-Methylthiazol-4-Yl)ethyl)thio)pyrimidine-4,6-Diamine | C19H22FN5O2S2

(R)-2-((1-(2-(3-(2-Fluoroethoxy)-4-Methoxyphenyl)-5-Methylthiazol-4-Yl)ethyl)thio)pyrimidine-4,6-Diamine

  • Molecular FormulaC19H22FN5O2S2
  • Average mass435.539 Da
  • Monoisotopic mass435.119904 Da
  • ChemSpider ID35034999
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(R)-2-((1-(2-(3-(2-Fluoroethoxy)-4-Methoxyphenyl)-5-Methylthiazol-4-Yl)ethyl)thio)pyrimidine-4,6-Diamine
2-{[(1R)-1-{2-[3-(2-Fluorethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]
2-{[(1R)-1-{2-[3-(2-Fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}-4,6-pyrimidinediamine [ACD/IUPAC Name]
2-{[(1R)-1-{2-[3-(2-Fluoroéthoxy)-4-méthoxyphényl]-5-méthyl-1,3-thiazol-4-yl}éthyl]sulfanyl}-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
4,6-Pyrimidinediamine, 2-[[(1R)-1-[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-4-thiazolyl]ethyl]thio]- [ACD/Index Name]
2Y8

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

Density: 1.4±0.1 g/cm3
Boiling Point: 677.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.8±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 114.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 186.86
ACD/KOC (pH 5.5): 1335.60
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 261.00
ACD/KOC (pH 7.4): 1865.57
Polar Surface Area: 163 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 312.7±5.0 cm3

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