ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

C17H16N2O5S — CID 60518710

About ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 60518710) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
• PubChem CID: 60518710
• Molecular Formula: C17H16N2O5S
• Molecular Weight: 360.39 g/mol
• Exact Mass: 360.08
• IUPAC Name: ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)c1sc2nc(CC(=O)c3ccoc3C)[nH]c(=O)c2c1C
• InChI: InChI=1S/C17H16N2O5S/c1-4-23-17(22)14-8(2)13-15(21)18-12(19-16(13)25-14)7-11(20)10-5-6-24-9(10)3/h5-6H,4,7H2,1-3H3,(H,18,19,21)
• InChIKey: CXOULIAYSRGVCK-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 102.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.39
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?

The IUPAC name of ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate (CID 60518710) is ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(CC(=O)c3ccoc3C)[nH]c(=O)c2c1C.

What is the InChIKey of ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?

The InChIKey is CXOULIAYSRGVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-4-23-17(22)14-8(2)13-15(21)18-12(19-16(13)25-14)7-11(20)10-5-6-24-9(10)3/h5-6H,4,7H2,1-3H3,(H,18,19,21).

What are the key properties of ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?

ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 360.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-methyl-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 60518710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).