5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid

C17H17N3O4S — CID 75429505

About 5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 75429505) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid
• PubChem CID: 75429505
• Molecular Formula: C17H17N3O4S
• Molecular Weight: 359.41 g/mol
• Exact Mass: 359.09
• IUPAC Name: 5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid
• SMILES: CCc1nc(C)c2c(C)c(C(=O)NCc3ccc(C(=O)O)o3)sc2n1
• InChI: InChI=1S/C17H17N3O4S/c1-4-12-19-9(3)13-8(2)14(25-16(13)20-12)15(21)18-7-10-5-6-11(24-10)17(22)23/h5-6H,4,7H2,1-3H3,(H,18,21)(H,22,23)
• InChIKey: KYRIWLJRBKOWFK-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 105.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.41
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid?

The IUPAC name of 5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 75429505) is 5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid.

What is the SMILES notation for 5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid?

The canonical SMILES for 5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid is CCc1nc(C)c2c(C)c(C(=O)NCc3ccc(C(=O)O)o3)sc2n1.

What is the InChIKey of 5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid?

The InChIKey is KYRIWLJRBKOWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-4-12-19-9(3)13-8(2)14(25-16(13)20-12)15(21)18-7-10-5-6-11(24-10)17(22)23/h5-6H,4,7H2,1-3H3,(H,18,21)(H,22,23).

What are the key properties of 5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid?

5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 359.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 75429505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).