ChemSpider 2D Image | 6-Ethyl-5-[3-(5-methoxy-3-biphenylyl)-1-propyn-1-yl]-2,4-pyrimidinediamine | C22H22N4O

6-Ethyl-5-[3-(5-methoxy-3-biphenylyl)-1-propyn-1-yl]-2,4-pyrimidinediamine

  • Molecular FormulaC22H22N4O
  • Average mass358.436 Da
  • Monoisotopic mass358.179352 Da
  • ChemSpider ID26363425

More details:

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

2,4-Pyrimidinediamine, 6-ethyl-5-[3-(5-methoxy[1,1'-biphenyl]-3-yl)-1-propyn-1-yl]- [ACD/Index Name]
6-Ethyl-5-[3-(5-methoxy-3-biphenylyl)-1-propin-1-yl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
6-Ethyl-5-[3-(5-methoxy-3-biphenylyl)-1-propyn-1-yl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
6-Éthyl-5-[3-(5-méthoxy-3-biphénylyl)-1-propyn-1-yl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
6-Ethyl-5-[3-(5-Methoxybiphenyl-3-Yl)prop-1-Yn-1-Yl]pyrimidine-2,4-Diamine
1252013-82-3 [RN]
1391987-50-0 [RN]
6-Ethyl-5-(3-(5-methoxy-[1,1'-biphenyl]-3-yl)prop-1-yn-1-yl)pyrimidine-2,4-diamine
6-ethyl-5-[3-(3-methoxy-5-phenylphenyl)prop-1-ynyl]pyrimidine-2,4-diamine
7DR

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

Density: 1.2±0.1 g/cm3
Boiling Point: 629.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.7±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 49.42
ACD/KOC (pH 5.5): 260.98
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 639.70
ACD/KOC (pH 7.4): 3378.04
Polar Surface Area: 87 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 287.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement