8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C15H11F2N3OS — CID 143601346

IUPAC8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(C)c2ccc(=O)n(-c3ccc(F)cc3F)c2n1
InChIInChI=1S/C15H11F2N3OS/c1-8-10-4-6-13(21)20(14(10)19-15(18-8)22-2)12-5-3-9(16)7-11(12)17/h3-7H,1-2H3
InChIKeyWNUMLNSCFTUSSJ-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.09
Rot. Bonds2

About 8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 143601346) has the molecular formula C15H11F2N3OS and a molecular weight of 319.34 g/mol. Its IUPAC name is 8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID143601346
Molecular FormulaC15H11F2N3OS
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(C)c2ccc(=O)n(-c3ccc(F)cc3F)c2n1
InChIInChI=1S/C15H11F2N3OS/c1-8-10-4-6-13(21)20(14(10)19-15(18-8)22-2)12-5-3-9(16)7-11(12)17/h3-7H,1-2H3
InChIKeyWNUMLNSCFTUSSJ-UHFFFAOYSA-N
XLogP3.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 10272017
4-(5-fluoro-2-methylphenyl)-2-methylsulfanyl-8-(2,3,4-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 69251800
2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 90825406
8-(2,6-difluorophenyl)-2,4-dimethylpyrido[2,3-d]pyrimidin-7-one
CID 143303109
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 59639560
4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 143308871
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
4-chloro-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-chloro-8-(2,4-difluorophenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 158334982
4-(2-chloro-4-fluorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 10367725
2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 67134885
8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 10291745
3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one
CID 2365337

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 143601346) is 8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1nc(C)c2ccc(=O)n(-c3ccc(F)cc3F)c2n1.
What is the InChIKey of 8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WNUMLNSCFTUSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3OS/c1-8-10-4-6-13(21)20(14(10)19-15(18-8)22-2)12-5-3-9(16)7-11(12)17/h3-7H,1-2H3.
What are the key properties of 8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 319.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 143601346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).