4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid

C17H22N6O3S — CID 118611809

About 4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid

4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid (PubChem CID 118611809) has the molecular formula C17H22N6O3S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid
• PubChem CID: 118611809
• Molecular Formula: C17H22N6O3S
• Molecular Weight: 390.47 g/mol
• Exact Mass: 390.15
• IUPAC Name: 4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid
• SMILES: Nc1nc(N2CCN(C(=O)C3CCN(C(=O)O)CC3)CC2)c2ccsc2n1
• InChI: InChI=1S/C17H22N6O3S/c18-16-19-13(12-3-10-27-14(12)20-16)21-6-8-22(9-7-21)15(24)11-1-4-23(5-2-11)17(25)26/h3,10-11H,1-2,4-9H2,(H,25,26)(H2,18,19,20)
• InChIKey: GIRBMPRTDKYQRE-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 115.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.47
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid?

The IUPAC name of 4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid (CID 118611809) is 4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid.

What is the SMILES notation for 4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid?

The canonical SMILES for 4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid is Nc1nc(N2CCN(C(=O)C3CCN(C(=O)O)CC3)CC2)c2ccsc2n1.

What is the InChIKey of 4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid?

The InChIKey is GIRBMPRTDKYQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3S/c18-16-19-13(12-3-10-27-14(12)20-16)21-6-8-22(9-7-21)15(24)11-1-4-23(5-2-11)17(25)26/h3,10-11H,1-2,4-9H2,(H,25,26)(H2,18,19,20).

What are the key properties of 4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid?

4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid has a molecular weight of 390.47 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 118611809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).