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

C14H16N2O4S — CID 103135274

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

5-methyl-3-[(5-methyloxolan-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 103135274) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-methyl-3-[(5-methyloxolan-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

• Compound Name: 5-methyl-3-[(5-methyloxolan-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
• PubChem CID: 103135274
• Molecular Formula: C14H16N2O4S
• Molecular Weight: 308.36 g/mol
• Exact Mass: 308.08
• IUPAC Name: 5-methyl-3-[(5-methyloxolan-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
• SMILES: Cc1c(C(=O)O)sc2ncn(CC3CCC(C)O3)c(=O)c12
• InChI: InChI=1S/C14H16N2O4S/c1-7-3-4-9(20-7)5-16-6-15-12-10(13(16)17)8(2)11(21-12)14(18)19/h6-7,9H,3-5H2,1-2H3,(H,18,19)
• InChIKey: VEUULUNJQUVJMJ-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 81.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.36
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-methyl-3-[(5-methyloxolan-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (CID 103135274) is 5-methyl-3-[(5-methyloxolan-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.

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

The canonical SMILES for 5-methyl-3-[(5-methyloxolan-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncn(CC3CCC(C)O3)c(=O)c12.

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

The InChIKey is VEUULUNJQUVJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-7-3-4-9(20-7)5-16-6-15-12-10(13(16)17)8(2)11(21-12)14(18)19/h6-7,9H,3-5H2,1-2H3,(H,18,19).

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

5-methyl-3-[(5-methyloxolan-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[(5-methyloxolan-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 103135274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).