ChemSpider 2D Image | 6-Methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)-1-pentyn-1-yl]-2,4-pyrimidinediamine | C19H24N4O3

6-Methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)-1-pentyn-1-yl]-2,4-pyrimidinediamine

  • Molecular FormulaC19H24N4O3
  • Average mass356.419 Da
  • Monoisotopic mass356.184845 Da
  • ChemSpider ID24637312

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4-Pyrimidinediamine, 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)-1-pentyn-1-yl]- [ACD/Index Name]
6-Methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)-1-pentin-1-yl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
6-Methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)-1-pentyn-1-yl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
6-Méthyl-5-[(3R)-3-(3,4,5-triméthoxyphényl)-1-pentyn-1-yl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
6-Methyl-5-[(3r)-3-(3,4,5-Trimethoxyphenyl)pent-1-Yn-1-Yl]pyrimidine-2,4-Diamine
QLR

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

Density: 1.2±0.1 g/cm3
Boiling Point: 586.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.4±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 2.97
ACD/KOC (pH 5.5): 35.01
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 38.18
ACD/KOC (pH 7.4): 449.42
Polar Surface Area: 106 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 289.8±5.0 cm3

Click to predict properties on the Chemicalize site


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