5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid

C12H10N4O4S — CID 60673835

About 5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid

5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 60673835) has the molecular formula C12H10N4O4S and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

• Compound Name: 5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
• PubChem CID: 60673835
• Molecular Formula: C12H10N4O4S
• Molecular Weight: 306.30 g/mol
• Exact Mass: 306.04
• IUPAC Name: 5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
• SMILES: Cc1nnc(Cn2cnc3sc(C(=O)O)c(C)c3c2=O)o1
• InChI: InChI=1S/C12H10N4O4S/c1-5-8-10(21-9(5)12(18)19)13-4-16(11(8)17)3-7-15-14-6(2)20-7/h4H,3H2,1-2H3,(H,18,19)
• InChIKey: ZYIOFSIQFFSNLH-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 111.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.30
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?

The IUPAC name of 5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (CID 60673835) is 5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.

What is the SMILES notation for 5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?

The canonical SMILES for 5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1nnc(Cn2cnc3sc(C(=O)O)c(C)c3c2=O)o1.

What is the InChIKey of 5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?

The InChIKey is ZYIOFSIQFFSNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4S/c1-5-8-10(21-9(5)12(18)19)13-4-16(11(8)17)3-7-15-14-6(2)20-7/h4H,3H2,1-2H3,(H,18,19).

What are the key properties of 5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?

5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 306.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 60673835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).