5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one

C21H23N3O3S — CID 1194099

About 5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one

5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 1194099) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
• PubChem CID: 1194099
• Molecular Formula: C21H23N3O3S
• Molecular Weight: 397.50 g/mol
• Exact Mass: 397.15
• IUPAC Name: 5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
• SMILES: CCOc1ccc(-c2c(C)sc3ncn(CC(=O)N4CCCC4)c(=O)c23)cc1
• InChI: InChI=1S/C21H23N3O3S/c1-3-27-16-8-6-15(7-9-16)18-14(2)28-20-19(18)21(26)24(13-22-20)12-17(25)23-10-4-5-11-23/h6-9,13H,3-5,10-12H2,1-2H3
• InChIKey: XGOIYUXKKOQPPD-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 64.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?

The IUPAC name of 5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one (CID 1194099) is 5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?

The canonical SMILES for 5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one is CCOc1ccc(-c2c(C)sc3ncn(CC(=O)N4CCCC4)c(=O)c23)cc1.

What is the InChIKey of 5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?

The InChIKey is XGOIYUXKKOQPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-27-16-8-6-15(7-9-16)18-14(2)28-20-19(18)21(26)24(13-22-20)12-17(25)23-10-4-5-11-23/h6-9,13H,3-5,10-12H2,1-2H3.

What are the key properties of 5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?

5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 397.50 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1194099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).