6-amino-9-cyclopentyl-7H-purin-8-one

C₁₀H₁₃N₅O — CID 12016634

About 6-amino-9-cyclopentyl-7H-purin-8-one

6-amino-9-cyclopentyl-7H-purin-8-one (PubChem CID 12016634) has the molecular formula C₁₀H₁₃N₅O and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-amino-9-cyclopentyl-7H-purin-8-one.

Molecular Properties

• Compound Name: 6-amino-9-cyclopentyl-7H-purin-8-one
• PubChem CID: 12016634
• Molecular Formula: C₁₀H₁₃N₅O
• Molecular Weight: 219.25 g/mol
• Exact Mass: 219.11
• IUPAC Name: 6-amino-9-cyclopentyl-7H-purin-8-one
• SMILES: Nc1ncnc2c1[nH]c(=O)n2C1CCCC1
• InChI: InChI=1S/C10H13N5O/c11-8-7-9(13-5-12-8)15(10(16)14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,16)(H2,11,12,13)
• InChIKey: GVHPUWNLUBNXJJ-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 89.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	219.25
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-cyclopentyl-7H-purin-8-one?

The IUPAC name of 6-amino-9-cyclopentyl-7H-purin-8-one (CID 12016634) is 6-amino-9-cyclopentyl-7H-purin-8-one.

What is the SMILES notation for 6-amino-9-cyclopentyl-7H-purin-8-one?

The canonical SMILES for 6-amino-9-cyclopentyl-7H-purin-8-one is Nc1ncnc2c1[nH]c(=O)n2C1CCCC1.

What is the InChIKey of 6-amino-9-cyclopentyl-7H-purin-8-one?

The InChIKey is GVHPUWNLUBNXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-8-7-9(13-5-12-8)15(10(16)14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,16)(H2,11,12,13).

What are the key properties of 6-amino-9-cyclopentyl-7H-purin-8-one?

6-amino-9-cyclopentyl-7H-purin-8-one has a molecular weight of 219.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-9-cyclopentyl-7H-purin-8-one is sourced from PubChem (CID 12016634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 12016634 — identifiers, structure, computed properties (public domain)

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