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

C12H11N5O3S — CID 94674942

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

5-methyl-3-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 94674942) has the molecular formula C12H11N5O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is 5-methyl-3-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

• Compound Name: 5-methyl-3-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
• PubChem CID: 94674942
• Molecular Formula: C12H11N5O3S
• Molecular Weight: 305.32 g/mol
• Exact Mass: 305.06
• IUPAC Name: 5-methyl-3-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
• SMILES: Cc1cc(Nn2cnc3sc(C(=O)O)c(C)c3c2=O)n[nH]1
• InChI: InChI=1S/C12H11N5O3S/c1-5-3-7(15-14-5)16-17-4-13-10-8(11(17)18)6(2)9(21-10)12(19)20/h3-4H,1-2H3,(H,19,20)(H2,14,15,16)
• InChIKey: NNEYJFQPCMUKKW-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 112.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.32
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-methyl-3-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (CID 94674942) is 5-methyl-3-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.

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

The canonical SMILES for 5-methyl-3-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1cc(Nn2cnc3sc(C(=O)O)c(C)c3c2=O)n[nH]1.

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

The InChIKey is NNEYJFQPCMUKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3S/c1-5-3-7(15-14-5)16-17-4-13-10-8(11(17)18)6(2)9(21-10)12(19)20/h3-4H,1-2H3,(H,19,20)(H2,14,15,16).

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

5-methyl-3-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 305.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 94674942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).