ChemSpider 2D Image | 5-[(3R)-3-(5-Methoxy-2',6'-dimethyl-3-biphenylyl)-1-butyn-1-yl]-6-methyl-2,4-pyrimidinediamine | C24H26N4O

5-[(3R)-3-(5-Methoxy-2',6'-dimethyl-3-biphenylyl)-1-butyn-1-yl]-6-methyl-2,4-pyrimidinediamine

  • Molecular FormulaC24H26N4O
  • Average mass386.489 Da
  • Monoisotopic mass386.210663 Da
  • ChemSpider ID24637592

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4-Pyrimidinediamine, 5-[(3R)-3-(5-methoxy-2',6'-dimethyl[1,1'-biphenyl]-3-yl)-1-butyn-1-yl]-6-methyl- [ACD/Index Name]
5-[(3R)-3-(5-Methoxy-2',6'-dimethyl-3-biphenylyl)-1-butin-1-yl]-6-methyl-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-[(3R)-3-(5-Methoxy-2',6'-dimethyl-3-biphenylyl)-1-butyn-1-yl]-6-methyl-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-[(3R)-3-(5-Méthoxy-2',6'-diméthyl-3-biphénylyl)-1-butyn-1-yl]-6-méthyl-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
5-[(3R)-3-[3-(2,6-dimethylphenyl)-5-methoxyphenyl]but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
5-[(3s)-3-(5-Methoxy-2',6'-Dimethylbiphenyl-3-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
52V
53V

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.1±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 249.65
ACD/KOC (pH 5.5): 828.45
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3271.04
ACD/KOC (pH 7.4): 10854.76
Polar Surface Area: 87 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 319.9±5.0 cm3

Click to predict properties on the Chemicalize site


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