Urapidil

C₂₀H₂₉N₅O₃ — CID 5639

About Urapidil

Urapidil (PubChem CID 5639) has the molecular formula C₂₀H₂₉N₅O₃ and a molecular weight of 387.48 g/mol. Its IUPAC name is 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: Urapidil
• PubChem CID: 5639
• Molecular Formula: C₂₀H₂₉N₅O₃
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.23
• IUPAC Name: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione
• SMILES: COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1
• InChI: InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3
• InChIKey: ICMGLRUYEQNHPF-UHFFFAOYSA-N
• XLogP: 0.72
• TPSA: 71.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Urapidil?

The IUPAC name of Urapidil (CID 5639) is 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione.

What is the SMILES notation for Urapidil?

The canonical SMILES for Urapidil is COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.

What is the InChIKey of Urapidil?

The InChIKey is ICMGLRUYEQNHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3.

What are the key properties of Urapidil?

Urapidil has a molecular weight of 387.48 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Urapidil is sourced from PubChem (CID 5639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5639 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2796 — approved-drug record (CC BY-SA 4.0)

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