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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Related Compounds

6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 135382290
6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 10596157
6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 158854556
7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one
CID 163575667
potassium;acetonitrile;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-1H-pyrido[2,3-d]pyrimidine-2,7-dione;phosphoryl trichloride;hydroxide
CID 160541123
(3S)-3-amino-2-methylbutan-2-ol;6-(2-chlorophenyl)-2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;methane
CID 159279031
6-[5-methoxy-4-(2,2,2-trifluoroacetyl)-2,3-dihydroquinoxalin-1-yl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 169232722
6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 137491286
6-bromo-8-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 58395568
tert-butyl (3R,4S)-3-methoxy-4-[(2-methylsulfonyl-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl)methyl]pyrrolidine-1-carboxylate
CID 171500569
4-(8-methyl-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4,7-diazaspiro[2.5]octane-7-carboxylic acid
CID 170162748
5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole
CID 121280166

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).