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

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

  • Molecular FormulaC19H24N4O3
  • Average mass356.419 Da
  • Monoisotopic mass356.184845 Da
  • ChemSpider ID25056715

More details:






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

2,4-Pyrimidinediamine, 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)-1-butyn-1-yl]- [ACD/Index Name]
6-Methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)-1-butin-1-yl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
6-Methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)-1-butyn-1-yl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
6-Méthyl-5-[3-méthyl-3-(3,4,5-triméthoxyphényl)-1-butyn-1-yl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine
55V

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 578.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.8±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 3.32
ACD/KOC (pH 5.5): 37.26
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 44.67
ACD/KOC (pH 7.4): 501.36
Polar Surface Area: 106 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 289.6±5.0 cm3

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