6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C17H16ClN3O3S — CID 137491286

IUPAC6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3n(C)c2=O)c1
InChIInChI=1S/C17H16ClN3O3S/c1-21-15-9(8-19-17(20-15)25-4)5-12(16(21)22)11-6-10(23-2)7-13(24-3)14(11)18/h5-8H,1-4H3
InChIKeyOWSXMTJCRVHMHG-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.39
Rot. Bonds4

About 6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 137491286) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID137491286
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3n(C)c2=O)c1
InChIInChI=1S/C17H16ClN3O3S/c1-21-15-9(8-19-17(20-15)25-4)5-12(16(21)22)11-6-10(23-2)7-13(24-3)14(11)18/h5-8H,1-4H3
InChIKeyOWSXMTJCRVHMHG-UHFFFAOYSA-N
XLogP3.39
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 118295624
CID 118295624
CID 90436886
CID 90436886
CID 86291937
CID 86291937
CID 86292511
CID 86292511
CID 86292906
CID 86292906
CID 86292908
CID 86292908
CID 118295611
CID 118295611
CID 118295731
CID 118295731
CID 118296035
CID 118296035
CID 137646530
CID 137646530
CID 44294299
CID 44294299
CID 86291934
CID 86291934

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 137491286) is 6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is COc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3n(C)c2=O)c1.
What is the InChIKey of 6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OWSXMTJCRVHMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-21-15-9(8-19-17(20-15)25-4)5-12(16(21)22)11-6-10(23-2)7-13(24-3)14(11)18/h5-8H,1-4H3.
What are the key properties of 6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 377.85 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 137491286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).