Pyrantel

C₁₁H₁₄N₂S — CID 708857

About Pyrantel

Pyrantel (PubChem CID 708857) has the molecular formula C₁₁H₁₄N₂S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine.

Molecular Properties

• Compound Name: Pyrantel
• PubChem CID: 708857
• Molecular Formula: C₁₁H₁₄N₂S
• Molecular Weight: 206.31 g/mol
• Exact Mass: 206.09
• IUPAC Name: 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine
• SMILES: CN1CCCN=C1/C=C/c1cccs1
• InChI: InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+
• InChIKey: YSAUAVHXTIETRK-AATRIKPKSA-N
• XLogP: 2.50
• TPSA: 15.60 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	206.31
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Pyrantel?

The IUPAC name of Pyrantel (CID 708857) is 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine.

What is the SMILES notation for Pyrantel?

The canonical SMILES for Pyrantel is CN1CCCN=C1/C=C/c1cccs1.

What is the InChIKey of Pyrantel?

The InChIKey is YSAUAVHXTIETRK-AATRIKPKSA-N. The full InChI is InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+.

What are the key properties of Pyrantel?

Pyrantel has a molecular weight of 206.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Pyrantel is sourced from PubChem (CID 708857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 708857 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2999 — approved-drug record (CC BY-SA 4.0)

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