ChemSpider 2D Image | 6-Ethyl-5-{3-[3-(5-pyrimidinyl)phenyl]-1-propyn-1-yl}-2,4-pyrimidinediamine | C19H18N6

6-Ethyl-5-{3-[3-(5-pyrimidinyl)phenyl]-1-propyn-1-yl}-2,4-pyrimidinediamine

  • Molecular FormulaC19H18N6
  • Average mass330.386 Da
  • Monoisotopic mass330.159302 Da
  • ChemSpider ID35034749

More details:

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

2,4-Pyrimidinediamine, 6-ethyl-5-[3-[3-(5-pyrimidinyl)phenyl]-1-propyn-1-yl]- [ACD/Index Name]
6-Ethyl-5-{3-[3-(5-pyrimidinyl)phenyl]-1-propin-1-yl}-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
6-Ethyl-5-{3-[3-(5-pyrimidinyl)phenyl]-1-propyn-1-yl}-2,4-pyrimidinediamine [ACD/IUPAC Name]
6-Éthyl-5-{3-[3-(5-pyrimidinyl)phényl]-1-propyn-1-yl}-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
6-Ethyl-5-{3-[3-(Pyrimidin-5-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
25U

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

Density: 1.3±0.1 g/cm3
Boiling Point: 647.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 383.0±21.5 °C
Index of Refraction: 1.685
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 2.18
ACD/KOC (pH 5.5): 27.97
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 28.29
ACD/KOC (pH 7.4): 362.42
Polar Surface Area: 104 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 84.4±5.0 dyne/cm
Molar Volume: 251.9±5.0 cm3

Click to predict properties on the Chemicalize site


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