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Predicted properties of the compound entered.

ID GEWDJPCJSNRLSQ-XMMPIXPASA-N
Formula C17H21ClN4OS
IUPAC Name 2-N-{3-[(R)-butane-1-sulfinyl]phenyl}-5-chloro-4-N-cyclopropylpyrimidine-2,4-diamine
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C17H21ClN4OS/c1-2-3-9-24(23)14-6-4-5-13(10-14)21-17-19-11-15(18)16(22-17)20-12-7-8-12/h4-6,10-12H,2-3,7-9H2,1H3,(H2,19,20,21,22)/t24-/m1/s1
Standard InChIKey (User Input) InChIKey=GEWDJPCJSNRLSQ-XMMPIXPASA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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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 - - -
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1H NMR prediction -
13C NMR prediction -
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HSQC/HMBC prediction -
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