8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C17H17N3OS — CID 102178580

IUPAC8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccccc2C)cc2cnc(SC)nc21
InChIInChI=1S/C17H17N3OS/c1-4-20-15-12(10-18-17(19-15)22-3)9-14(16(20)21)13-8-6-5-7-11(13)2/h5-10H,4H2,1-3H3
InChIKeyDALFKGQDFFEANR-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.51
Rot. Bonds3

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

8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 102178580) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID102178580
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccccc2C)cc2cnc(SC)nc21
InChIInChI=1S/C17H17N3OS/c1-4-20-15-12(10-18-17(19-15)22-3)9-14(16(20)21)13-8-6-5-7-11(13)2/h5-10H,4H2,1-3H3
InChIKeyDALFKGQDFFEANR-UHFFFAOYSA-N
XLogP3.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methylphenyl)-2-methylsulfanyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 68927411
8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 10560946
8-benzyl-6-(4-tert-butylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 102178599
6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 23551769
8-ethyl-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 123373856
3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one
CID 139602502
6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 135382600
2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 86683497
2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 11537968
1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 139602401
N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine
CID 23512569
[3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid
CID 90373919

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 102178580) is 8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccccc2C)cc2cnc(SC)nc21.
What is the InChIKey of 8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DALFKGQDFFEANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-4-20-15-12(10-18-17(19-15)22-3)9-14(16(20)21)13-8-6-5-7-11(13)2/h5-10H,4H2,1-3H3.
What are the key properties of 8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 311.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 102178580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).