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Predicted properties of the compound entered.

ID AAFWQWCTYGKJJW-UHFFFAOYSA-N
Formula C22H24FN5O
IUPAC Name 4-{2-[(4-fluoro-3-methylphenyl)amino]pyrimidin-4-yl}-N-methyl-N-(2-methylpropyl)pyridine-2-carboxamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C22H24FN5O/c1-14(2)13-28(4)21(29)20-12-16(7-9-24-20)19-8-10-25-22(27-19)26-17-5-6-18(23)15(3)11-17/h5-12,14H,13H2,1-4H3,(H,25,26,27)
Standard InChIKey (User Input) InChIKey=AAFWQWCTYGKJJW-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
This prediction is based on QSPR only and is the first basic approximate estimation.
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
Mol-Instincts Database
 
Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
For professional applications, try our new chemical database based on quantum mechanics - more property data (~2,100 data sets per compound) with higher accuracy.

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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -