ChemSpider 2D Image | 6-Ethyl-5-{3-[3-methoxy-5-(4-pyridinyl)phenyl]-1-propyn-1-yl}-2,4-pyrimidinediamine | C21H21N5O

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

  • Molecular FormulaC21H21N5O
  • Average mass359.424 Da
  • Monoisotopic mass359.174622 Da
  • ChemSpider ID34226219

More details:

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

2,4-Pyrimidinediamine, 6-ethyl-5-[3-[3-methoxy-5-(4-pyridinyl)phenyl]-1-propyn-1-yl]- [ACD/Index Name]
6-Ethyl-5-{3-[3-methoxy-5-(4-pyridinyl)phenyl]-1-propin-1-yl}-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
6-Ethyl-5-{3-[3-methoxy-5-(4-pyridinyl)phenyl]-1-propyn-1-yl}-2,4-pyrimidinediamine [ACD/IUPAC Name]
6-Éthyl-5-{3-[3-méthoxy-5-(4-pyridinyl)phényl]-1-propyn-1-yl}-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
9DR

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

Density: 1.3±0.1 g/cm3
Boiling Point: 639.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.2±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 104.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 7.36
ACD/KOC (pH 5.5): 63.82
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 110.42
ACD/KOC (pH 7.4): 957.05
Polar Surface Area: 100 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 75.1±5.0 dyne/cm
Molar Volume: 280.8±5.0 cm3

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