ChemSpider 2D Image | 5-[(3R)-3-(5-Methoxy-4'-methyl-3-biphenylyl)-1-butyn-1-yl]-6-methyl-2,4-pyrimidinediamine | C23H24N4O

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

  • Molecular FormulaC23H24N4O
  • Average mass372.463 Da
  • Monoisotopic mass372.195007 Da
  • ChemSpider ID24636429

  • 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-4'-methyl[1,1'-biphenyl]-3-yl)-1-butyn-1-yl]-6-methyl- [ACD/Index Name]
5-[(3R)-3-(5-Methoxy-4'-methyl-3-biphenylyl)-1-butin-1-yl]-6-methyl-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-[(3R)-3-(5-Methoxy-4'-methyl-3-biphenylyl)-1-butyn-1-yl]-6-methyl-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-[(3R)-3-(5-Méthoxy-4'-méthyl-3-biphénylyl)-1-butyn-1-yl]-6-méthyl-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
5-[(3R)-3-[3-methoxy-5-(4-methylphenyl)phenyl]but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
53S

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.6±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 125.02
ACD/KOC (pH 5.5): 505.63
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1631.98
ACD/KOC (pH 7.4): 6600.43
Polar Surface Area: 87 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 304.2±5.0 cm3

Click to predict properties on the Chemicalize site


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