Amisometradine

C₉H₁₃N₃O₂ — CID 11071

About Amisometradine

Amisometradine (PubChem CID 11071) has the molecular formula C₉H₁₃N₃O₂ and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: Amisometradine
• PubChem CID: 11071
• Molecular Formula: C₉H₁₃N₃O₂
• Molecular Weight: 195.22 g/mol
• Exact Mass: 195.10
• IUPAC Name: 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
• SMILES: C=C(C)Cn1c(N)cc(=O)n(C)c1=O
• InChI: InChI=1S/C9H13N3O2/c1-6(2)5-12-7(10)4-8(13)11(3)9(12)14/h4H,1,5,10H2,2-3H3
• InChIKey: FXNYSZHYMGWWEZ-UHFFFAOYSA-N
• XLogP: -0.29
• TPSA: 70.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	195.22
LogP ≤ 5	-0.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Amisometradine?

The IUPAC name of Amisometradine (CID 11071) is 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione.

What is the SMILES notation for Amisometradine?

The canonical SMILES for Amisometradine is C=C(C)Cn1c(N)cc(=O)n(C)c1=O.

What is the InChIKey of Amisometradine?

The InChIKey is FXNYSZHYMGWWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)5-12-7(10)4-8(13)11(3)9(12)14/h4H,1,5,10H2,2-3H3.

What are the key properties of Amisometradine?

Amisometradine has a molecular weight of 195.22 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Amisometradine is sourced from PubChem (CID 11071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11071 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3671 — approved-drug record (CC BY-SA 4.0)

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