6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C15H11Cl2N3OS — CID 135382600

IUPAC6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(-c3cccc(Cl)c3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C15H11Cl2N3OS/c1-20-13-8(7-18-15(19-13)22-2)6-10(14(20)21)9-4-3-5-11(16)12(9)17/h3-7H,1-2H3
InChIKeyVBZODFGFKXFBLY-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.02
Rot. Bonds2

About 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 135382600) has the molecular formula C15H11Cl2N3OS and a molecular weight of 352.25 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID135382600
Molecular FormulaC15H11Cl2N3OS
Molecular Weight352.25 g/mol
Exact Mass351.00
IUPAC Name6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(-c3cccc(Cl)c3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C15H11Cl2N3OS/c1-20-13-8(7-18-15(19-13)22-2)6-10(14(20)21)9-4-3-5-11(16)12(9)17/h3-7H,1-2H3
InChIKeyVBZODFGFKXFBLY-UHFFFAOYSA-N
XLogP4.02
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 135382600) is 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2cc(-c3cccc(Cl)c3Cl)c(=O)n(C)c2n1.
What is the InChIKey of 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VBZODFGFKXFBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3OS/c1-20-13-8(7-18-15(19-13)22-2)6-10(14(20)21)9-4-3-5-11(16)12(9)17/h3-7H,1-2H3.
What are the key properties of 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 352.25 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 135382600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).