N-Cyclohexyl-9-methyl-9H-purin-6-amine

C₁₂H₁₇N₅ — CID 15693939

About N-Cyclohexyl-9-methyl-9H-purin-6-amine

N-Cyclohexyl-9-methyl-9H-purin-6-amine (PubChem CID 15693939) has the molecular formula C₁₂H₁₇N₅ and a molecular weight of 231.30 g/mol. Its IUPAC name is N-cyclohexyl-9-methylpurin-6-amine.

Molecular Properties

• Compound Name: N-Cyclohexyl-9-methyl-9H-purin-6-amine
• PubChem CID: 15693939
• Molecular Formula: C₁₂H₁₇N₅
• Molecular Weight: 231.30 g/mol
• Exact Mass: 231.15
• IUPAC Name: N-cyclohexyl-9-methylpurin-6-amine
• SMILES: Cn1cnc2c(NC3CCCCC3)ncnc21
• InChI: InChI=1S/C12H17N5/c1-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16)
• InChIKey: YWCWGJZQICOVCA-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	231.30
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-Cyclohexyl-9-methyl-9H-purin-6-amine?

The IUPAC name of N-Cyclohexyl-9-methyl-9H-purin-6-amine (CID 15693939) is N-cyclohexyl-9-methylpurin-6-amine.

What is the SMILES notation for N-Cyclohexyl-9-methyl-9H-purin-6-amine?

The canonical SMILES for N-Cyclohexyl-9-methyl-9H-purin-6-amine is Cn1cnc2c(NC3CCCCC3)ncnc21.

What is the InChIKey of N-Cyclohexyl-9-methyl-9H-purin-6-amine?

The InChIKey is YWCWGJZQICOVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16).

What are the key properties of N-Cyclohexyl-9-methyl-9H-purin-6-amine?

N-Cyclohexyl-9-methyl-9H-purin-6-amine has a molecular weight of 231.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-Cyclohexyl-9-methyl-9H-purin-6-amine is sourced from PubChem (CID 15693939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15693939 — identifiers, structure, computed properties (public domain)

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