4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

C15H12FN3OS — CID 141065190

IUPAC4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(-c2ccc(F)cc2C)c2ccc(=O)[nH]c2n1
InChIInChI=1S/C15H12FN3OS/c1-8-7-9(16)3-4-10(8)13-11-5-6-12(20)17-14(11)19-15(18-13)21-2/h3-7H,1-2H3,(H,17,18,19,20)
InChIKeyJEBIWNWQWMOTFS-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.15
Rot. Bonds2

About 4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 141065190) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID141065190
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(-c2ccc(F)cc2C)c2ccc(=O)[nH]c2n1
InChIInChI=1S/C15H12FN3OS/c1-8-7-9(16)3-4-10(8)13-11-5-6-12(20)17-14(11)19-15(18-13)21-2/h3-7H,1-2H3,(H,17,18,19,20)
InChIKeyJEBIWNWQWMOTFS-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 10272017
8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 10291745
5-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 91132137
7-chloro-5-methyl-1H-1,8-naphthyridin-2-one
CID 21073917
4-(5-fluoro-2-methylphenyl)-2-methylsulfanyl-8-(2,3,4-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 69251800
5,6,7-trimethyl-1H-1,8-naphthyridin-2-one
CID 23335375
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
CID 141065177
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639647
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one;2-methylsulfanyl-4,8-diphenyl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 158117669
6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidin-2-one
CID 106514972
2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136873120
4-(2,4-difluorophenyl)-6-(4-fluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 10090852

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 141065190) is 4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is CSc1nc(-c2ccc(F)cc2C)c2ccc(=O)[nH]c2n1.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JEBIWNWQWMOTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-8-7-9(16)3-4-10(8)13-11-5-6-12(20)17-14(11)19-15(18-13)21-2/h3-7H,1-2H3,(H,17,18,19,20).
What are the key properties of 4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 301.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141065190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).