ChemSpider 2D Image | N-(4-Fluorophenyl)-4,5-dimethyl-6-[(1S)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-2-pyrimidinamine | C22H23FN4

N-(4-Fluorophenyl)-4,5-dimethyl-6-[(1S)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-2-pyrimidinamine

  • Molecular FormulaC22H23FN4
  • Average mass362.443 Da
  • Monoisotopic mass362.190674 Da
  • ChemSpider ID25066152
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Pyrimidinamine, 4-[(1S)-3,4-dihydro-1-methyl-2(1H)-isoquinolinyl]-N-(4-fluorophenyl)-5,6-dimethyl- [ACD/Index Name]
N-(4-Fluorophényl)-4,5-diméthyl-6-[(1S)-1-méthyl-3,4-dihydro-2(1H)-isoquinoléinyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
N-(4-Fluorophenyl)-4,5-dimethyl-6-[(1S)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-2-pyrimidinamine [ACD/IUPAC Name]
N-(4-Fluorphenyl)-4,5-dimethyl-6-[(1S)-1-methyl-3,4-dihydro-2(1H)-isochinolinyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
[199463-33-7] [RN]
199463-33-7 [RN]
MFCD26405757
Revaprazan
UNII-5P184180P5

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.1±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 106.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 154.91
ACD/KOC (pH 5.5): 424.42
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 4455.34
ACD/KOC (pH 7.4): 12206.90
Polar Surface Area: 41 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 300.7±3.0 cm3

Click to predict properties on the Chemicalize site






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