Found 1 result

Search term: CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)N1CCOCC1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 6-Ethyl-5-{(3R)-3-[3-methoxy-5-(4-morpholinyl)phenyl]-1-butyn-1-yl}-2,4-pyrimidinediamine | C21H27N5O2

6-Ethyl-5-{(3R)-3-[3-methoxy-5-(4-morpholinyl)phenyl]-1-butyn-1-yl}-2,4-pyrimidinediamine

  • Molecular FormulaC21H27N5O2
  • Average mass381.471 Da
  • Monoisotopic mass381.216461 Da
  • ChemSpider ID35033316

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4-Pyrimidinediamine, 6-ethyl-5-[(3R)-3-[3-methoxy-5-(4-morpholinyl)phenyl]-1-butyn-1-yl]- [ACD/Index Name]
6-Ethyl-5-{(3R)-3-[3-methoxy-5-(4-morpholinyl)phenyl]-1-butin-1-yl}-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
6-Ethyl-5-{(3R)-3-[3-methoxy-5-(4-morpholinyl)phenyl]-1-butyn-1-yl}-2,4-pyrimidinediamine [ACD/IUPAC Name]
6-Éthyl-5-{(3R)-3-[3-méthoxy-5-(4-morpholinyl)phényl]-1-butyn-1-yl}-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
6-Ethyl-5-{(3r)-3-[3-Methoxy-5-(Morpholin-4-Yl)phenyl]but-1-Yn-1-Yl}pyrimidine-2,4-Diamine
06V

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

Density: 1.3±0.1 g/cm3
Boiling Point: 673.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 360.9±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 108.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 2.70
ACD/KOC (pH 5.5): 31.36
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 39.41
ACD/KOC (pH 7.4): 457.87
Polar Surface Area: 100 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 304.1±5.0 cm3

Click to predict properties on the Chemicalize site


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