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

C10H11N3OS — CID 140984610

IUPAC4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1nc(SC)nc2[nH]c(=O)ccc12
InChIInChI=1S/C10H11N3OS/c1-3-7-6-4-5-8(14)12-9(6)13-10(11-7)15-2/h4-5H,3H2,1-2H3,(H,11,12,13,14)
InChIKeyLXSQOFAKVITGGE-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.60
Rot. Bonds2

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

4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 140984610) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID140984610
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1nc(SC)nc2[nH]c(=O)ccc12
InChIInChI=1S/C10H11N3OS/c1-3-7-6-4-5-8(14)12-9(6)13-10(11-7)15-2/h4-5H,3H2,1-2H3,(H,11,12,13,14)
InChIKeyLXSQOFAKVITGGE-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795380
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
8-[(3Z,5E)-3,5-difluorohepta-1,3,5-trien-4-yl]-4-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 143303139
2,4,6-trimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795384
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
2-Amino-4-methylpyrido[2,3-D]pyrimidin-7(8H)-one
CID 44713836
8-ethyl-4-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 57606955
8-isopropyl-4-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 57606962

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 140984610) is 4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is CCc1nc(SC)nc2[nH]c(=O)ccc12.
What is the InChIKey of 4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LXSQOFAKVITGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-3-7-6-4-5-8(14)12-9(6)13-10(11-7)15-2/h4-5H,3H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 221.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 140984610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).