6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C19H21ClN4O2S — CID 170954436

IUPAC6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCS(=O)c1ccc(Nc2ncc3cc(Cl)c(=O)n(C(C)C)c3n2)c(C)c1
InChIInChI=1S/C19H21ClN4O2S/c1-5-27(26)14-6-7-16(12(4)8-14)22-19-21-10-13-9-15(20)18(25)24(11(2)3)17(13)23-19/h6-11H,5H2,1-4H3,(H,21,22,23)
InChIKeyLJAAECIOCLGZON-UHFFFAOYSA-N
MW404.92 g/mol
LogP4.21
Rot. Bonds5

About 6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 170954436) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is 6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID170954436
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC Name6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCS(=O)c1ccc(Nc2ncc3cc(Cl)c(=O)n(C(C)C)c3n2)c(C)c1
InChIInChI=1S/C19H21ClN4O2S/c1-5-27(26)14-6-7-16(12(4)8-14)22-19-21-10-13-9-15(20)18(25)24(11(2)3)17(13)23-19/h6-11H,5H2,1-4H3,(H,21,22,23)
InChIKeyLJAAECIOCLGZON-UHFFFAOYSA-N
XLogP4.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-(difluoromethyl)-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954312
6-chloro-2-[2-methyl-4-(methylsulfanylmethyl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954194
6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170952988
6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954212
4-[(6-chloro-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N,N,3-trimethylbenzenesulfinamide
CID 170953422
4-[(6-chloro-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N,3-dimethylbenzenesulfinamide;ethane
CID 170952194
6-chloro-8-cyclopentyl-2-[2-methyl-4-[(2-propan-2-yl-2-azaspiro[3.5]nonan-7-yl)sulfinyl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 171598478
6-chloro-8-cyclopentyl-2-[2-methyl-4-[(R)-(4-methylcyclohexyl)sulfinyl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 174316051
4-[[6-chloro-8-(3-hydroxy-3-methylbutan-2-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-iodo-3-methylbenzenesulfonamide
CID 170954005
6-chloro-2-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfinylanilino]-8-spiro[2.4]heptan-7-ylpyrido[2,3-d]pyrimidin-7-one
CID 170953352
6-chloro-2-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylanilino]-8-(1,1,1-trifluoropropan-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 170951984
6-chloro-2-[2-methyl-4-(2-methyl-4-propan-2-ylpiperidin-1-yl)sulfinylanilino]-8-spiro[2.4]heptan-7-ylpyrido[2,3-d]pyrimidin-7-one
CID 170953838

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 170954436) is 6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CCS(=O)c1ccc(Nc2ncc3cc(Cl)c(=O)n(C(C)C)c3n2)c(C)c1.
What is the InChIKey of 6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LJAAECIOCLGZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S/c1-5-27(26)14-6-7-16(12(4)8-14)22-19-21-10-13-9-15(20)18(25)24(11(2)3)17(13)23-19/h6-11H,5H2,1-4H3,(H,21,22,23).
What are the key properties of 6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 404.92 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170954436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).