ChemSpider 2D Image | (1R)-3-(2,4-Diamino-6-methyl-5-pyrimidinyl)-1-(3,4,5-trimethoxyphenyl)-2-propyn-1-ol | C17H20N4O4

(1R)-3-(2,4-Diamino-6-methyl-5-pyrimidinyl)-1-(3,4,5-trimethoxyphenyl)-2-propyn-1-ol

  • Molecular FormulaC17H20N4O4
  • Average mass344.365 Da
  • Monoisotopic mass344.148468 Da
  • ChemSpider ID24636090

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-3-(2,4-Diamino-6-methyl-5-pyrimidinyl)-1-(3,4,5-trimethoxyphenyl)-2-propin-1-ol [German] [ACD/IUPAC Name]
(1R)-3-(2,4-Diamino-6-methyl-5-pyrimidinyl)-1-(3,4,5-trimethoxyphenyl)-2-propyn-1-ol [ACD/IUPAC Name]
(1R)-3-(2,4-Diamino-6-méthyl-5-pyrimidinyl)-1-(3,4,5-triméthoxyphényl)-2-propyn-1-ol [French] [ACD/IUPAC Name]
(1r)-3-(2,4-Diamino-6-Methylpyrimidin-5-Yl)-1-(3,4,5-Trimethoxyphenyl)prop-2-Yn-1-Ol
Benzenemethanol, α-[2-(2,4-diamino-6-methyl-5-pyrimidinyl)ethynyl]-3,4,5-trimethoxy-, (αR)- [ACD/Index Name]
5WA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 621.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 329.9±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 91.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.44
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 85.87
Polar Surface Area: 126 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 254.8±5.0 cm3

Click to predict properties on the Chemicalize site


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