7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one

C15H13N3OS — CID 15184797

IUPAC7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCSc1nc(-c2ccccc2)nc2[nH]c(C)cc(=O)c12
InChIInChI=1S/C15H13N3OS/c1-9-8-11(19)12-14(16-9)17-13(18-15(12)20-2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyGACXLLSPGBOROA-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.02
Rot. Bonds2

About 7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one

7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 15184797) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID15184797
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCSc1nc(-c2ccccc2)nc2[nH]c(C)cc(=O)c12
InChIInChI=1S/C15H13N3OS/c1-9-8-11(19)12-14(16-9)17-13(18-15(12)20-2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyGACXLLSPGBOROA-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-Acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-YL]-2-methylpropanamide
CID 4067705
1-[4-Amino-6-(methylthio)-2-phenyl-5-pyrimidinyl]ethanone
CID 2834002
1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone
CID 766644
2,4-dimethyl-7-phenylpyrido[2,3-d]pyrimidin-5(8H)-one
CID 5401039
1-(4-Methylsulfanyl-6-morpholin-4-yl-2-phenylpyrimidin-5-yl)ethanone
CID 780203
N-[5-acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-yl]acetamide
CID 2870744
4-(methylsulfanyl)-2,7-diphenylpyrido[2,3-d]pyrimidin-5(8H)-one
CID 683953
1-[4-Amino-6-(benzylthio)-2-phenyl-5-pyrimidinyl]ethanone
CID 42560846
1-[4,6-Bis(methylthio)-2-phenyl-5-pyrimidinyl]ethanone
CID 672426
Cambridge id 5948728
CID 760990
7-isopropyl-4-methyl-2-phenylpyrido[2,3-d]pyrimidin-5(8H)-one
CID 892045
N-[5-acetyl-6-(methylthio)-2-phenylpyrimidin-4-yl]propanamide
CID 873943

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one (CID 15184797) is 7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one is CSc1nc(-c2ccccc2)nc2[nH]c(C)cc(=O)c12.
What is the InChIKey of 7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is GACXLLSPGBOROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-8-11(19)12-14(16-9)17-13(18-15(12)20-2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17,18,19).
What are the key properties of 7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 283.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 15184797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).