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

C11H13N3OS — CID 141300918

IUPAC5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc(=O)[nH]c2nc(SC)nc(C)c12
InChIInChI=1S/C11H13N3OS/c1-4-7-5-8(15)13-10-9(7)6(2)12-11(14-10)16-3/h5H,4H2,1-3H3,(H,12,13,14,15)
InChIKeyNMBMABZNRKZUKA-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.91
Rot. Bonds2

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

5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 141300918) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID141300918
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc(=O)[nH]c2nc(SC)nc(C)c12
InChIInChI=1S/C11H13N3OS/c1-4-7-5-8(15)13-10-9(7)6(2)12-11(14-10)16-3/h5H,4H2,1-3H3,(H,12,13,14,15)
InChIKeyNMBMABZNRKZUKA-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-fluoro-2-methanesulfonyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 21073456
4-(2-fluoro-phenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 59639533
4-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 69943817
2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide
CID 142723892
2,4,5-trimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 134987193
2-Methanesulfonyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 21073277
2-(Methylthio)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 21073406
4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 58710516
6-bromo-4-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 59258909
4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 59421461
4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 59421489
ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium
CID 59421519

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 141300918) is 5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is CCc1cc(=O)[nH]c2nc(SC)nc(C)c12.
What is the InChIKey of 5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NMBMABZNRKZUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-4-7-5-8(15)13-10-9(7)6(2)12-11(14-10)16-3/h5H,4H2,1-3H3,(H,12,13,14,15).
What are the key properties of 5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 235.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141300918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).