6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione

C₁₁H₁₇N₃S — CID 106476082

About 6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione

6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 106476082) has the molecular formula C₁₁H₁₇N₃S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

• Compound Name: 6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
• PubChem CID: 106476082
• Molecular Formula: C₁₁H₁₇N₃S
• Molecular Weight: 223.34 g/mol
• Exact Mass: 223.11
• IUPAC Name: 6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
• SMILES: CCc1cc(=S)nc(N2CCCCC2)[nH]1
• InChI: InChI=1S/C11H17N3S/c1-2-9-8-10(15)13-11(12-9)14-6-4-3-5-7-14/h8H,2-7H2,1H3,(H,12,13,15)
• InChIKey: TUYIVDZZKBOQDX-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 31.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.34
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?

The IUPAC name of 6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione (CID 106476082) is 6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione.

What is the SMILES notation for 6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?

The canonical SMILES for 6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione is CCc1cc(=S)nc(N2CCCCC2)[nH]1.

What is the InChIKey of 6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?

The InChIKey is TUYIVDZZKBOQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-9-8-10(15)13-11(12-9)14-6-4-3-5-7-14/h8H,2-7H2,1H3,(H,12,13,15).

What are the key properties of 6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?

6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 223.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106476082 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.