2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one

C22H25N3O4S — CID 143747970

IUPAC2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-n2ccc(O)cc2=O)cc1.c1cnc(C2CCCCC2)nc1
InChIInChI=1S/C12H11NO4S.C10H14N2/c1-18(16,17)11-4-2-9(3-5-11)13-7-6-10(14)8-12(13)15;1-2-5-9(6-3-1)10-11-7-4-8-12-10/h2-8,14H,1H3;4,7-9H,1-3,5-6H2
InChIKeyMZXKDMDJMFGGEW-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.47
Rot. Bonds3

About 2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one

2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one (PubChem CID 143747970) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one.

Molecular Properties

Compound Name2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one
PubChem CID143747970
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-n2ccc(O)cc2=O)cc1.c1cnc(C2CCCCC2)nc1
InChIInChI=1S/C12H11NO4S.C10H14N2/c1-18(16,17)11-4-2-9(3-5-11)13-7-6-10(14)8-12(13)15;1-2-5-9(6-3-1)10-11-7-4-8-12-10/h2-8,14H,1H3;4,7-9H,1-3,5-6H2
InChIKeyMZXKDMDJMFGGEW-UHFFFAOYSA-N
XLogP3.47
TPSA102.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The IUPAC name of 2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one (CID 143747970) is 2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one.
What is the SMILES notation for 2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The canonical SMILES for 2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one is CS(=O)(=O)c1ccc(-n2ccc(O)cc2=O)cc1.c1cnc(C2CCCCC2)nc1.
What is the InChIKey of 2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The InChIKey is MZXKDMDJMFGGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S.C10H14N2/c1-18(16,17)11-4-2-9(3-5-11)13-7-6-10(14)8-12(13)15;1-2-5-9(6-3-1)10-11-7-4-8-12-10/h2-8,14H,1H3;4,7-9H,1-3,5-6H2.
What are the key properties of 2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one has a molecular weight of 427.53 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one is sourced from PubChem (CID 143747970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).