Found 1 result

Search term: CCCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 5-[3-(2,5-Dimethoxyphenyl)-1-propyn-1-yl]-6-propyl-2,4-pyrimidinediamine | C18H22N4O2

5-[3-(2,5-Dimethoxyphenyl)-1-propyn-1-yl]-6-propyl-2,4-pyrimidinediamine

  • Molecular FormulaC18H22N4O2
  • Average mass326.393 Da
  • Monoisotopic mass326.174286 Da
  • ChemSpider ID24702742

More details:

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

2,4-Pyrimidinediamine, 5-[3-(2,5-dimethoxyphenyl)-1-propyn-1-yl]-6-propyl- [ACD/Index Name]
5-[3-(2,5-Dimethoxyphenyl)-1-propin-1-yl]-6-propyl-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-[3-(2,5-Dimethoxyphenyl)-1-propyn-1-yl]-6-propyl-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-[3-(2,5-Diméthoxyphényl)-1-propyn-1-yl]-6-propyl-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
5-[3-(2,5-Dimethoxyphenyl)prop-1-Yn-1-Yl]-6-Propylpyrimidine-2,4-Diamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485962/
Propargyl inhibitor, 18
QLZ

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.7±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 92.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 5.62
ACD/KOC (pH 5.5): 54.31
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 75.73
ACD/KOC (pH 7.4): 731.54
Polar Surface Area: 96 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 267.4±5.0 cm3

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