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

C20H15N3OS — CID 683953

IUPAC4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCSc1nc(-c2ccccc2)nc2[nH]c(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C20H15N3OS/c1-25-20-17-16(24)12-15(13-8-4-2-5-9-13)21-19(17)22-18(23-20)14-10-6-3-7-11-14/h2-12H,1H3,(H,21,22,23,24)
InChIKeyIJRMYBWSAIGXMI-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.37
Rot. Bonds3

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

4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 683953) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID683953
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCSc1nc(-c2ccccc2)nc2[nH]c(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C20H15N3OS/c1-25-20-17-16(24)12-15(13-8-4-2-5-9-13)21-19(17)22-18(23-20)14-10-6-3-7-11-14/h2-12H,1H3,(H,21,22,23,24)
InChIKeyIJRMYBWSAIGXMI-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.37
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
N-[5-acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-yl]acetamide
CID 2870744
4-Methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
CID 5339079
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
N-[5-acetyl-6-(methylthio)-2-phenylpyrimidin-4-yl]propanamide
CID 873943
N-[5-acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-yl]benzamide
CID 1380460
4-(methylthio)-2-phenylpyrido[2,3-d]pyrimidin-5(8H)-one
CID 5337893
methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate
CID 686737

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one (CID 683953) is 4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one is CSc1nc(-c2ccccc2)nc2[nH]c(-c3ccccc3)cc(=O)c12.
What is the InChIKey of 4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is IJRMYBWSAIGXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-25-20-17-16(24)12-15(13-8-4-2-5-9-13)21-19(17)22-18(23-20)14-10-6-3-7-11-14/h2-12H,1H3,(H,21,22,23,24).
What are the key properties of 4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 345.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 683953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).