6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

C16H15N3O4S — CID 135382571

IUPAC6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3cnc(S(C)(=O)=O)nc3n(C)c2=O)cc1
InChIInChI=1S/C16H15N3O4S/c1-19-14-11(9-17-16(18-14)24(3,21)22)8-13(15(19)20)10-4-6-12(23-2)7-5-10/h4-9H,1-3H3
InChIKeyUXONUTCSTCAEAZ-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.41
Rot. Bonds3

About 6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 135382571) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID135382571
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3cnc(S(C)(=O)=O)nc3n(C)c2=O)cc1
InChIInChI=1S/C16H15N3O4S/c1-19-14-11(9-17-16(18-14)24(3,21)22)8-13(15(19)20)10-4-6-12(23-2)7-5-10/h4-9H,1-3H3
InChIKeyUXONUTCSTCAEAZ-UHFFFAOYSA-N
XLogP1.41
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 135382571) is 6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3cnc(S(C)(=O)=O)nc3n(C)c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UXONUTCSTCAEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-19-14-11(9-17-16(18-14)24(3,21)22)8-13(15(19)20)10-4-6-12(23-2)7-5-10/h4-9H,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 345.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 135382571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).