ChemSpider 2D Image | 4-[2-(4-Amino-1-piperidinyl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinyl]-2-fluorobenzonitrile | C24H23F2N5O2

4-[2-(4-Amino-1-piperidinyl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinyl]-2-fluorobenzonitrile

  • Molecular FormulaC24H23F2N5O2
  • Average mass451.469 Da
  • Monoisotopic mass451.181976 Da
  • ChemSpider ID112715803

More details:

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

4-[2-(4-Amino-1-piperidinyl)-5-(3-fluor-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinyl]-2-fluorbenzonitril [German] [ACD/IUPAC Name]
4-[2-(4-Amino-1-piperidinyl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinyl]-2-fluorobenzonitrile [ACD/IUPAC Name]
4-[2-(4-Amino-1-pipéridinyl)-5-(3-fluoro-4-méthoxyphényl)-1-méthyl-6-oxo-1,6-dihydro-4-pyrimidinyl]-2-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[2-(4-amino-1-piperidinyl)-5-(3-fluoro-4-methoxyphenyl)-1,6-dihydro-1-methyl-6-oxo-4-pyrimidinyl]-2-fluoro- [ACD/Index Name]
1821307-10-1 [RN]
4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxopyrimidin-4-yl]-2-fluorobenzonitrile
CC-90011
Pulrodemstat

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.6±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 119.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 95 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 332.2±7.0 cm3

Click to predict properties on the Chemicalize site


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