9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine

C15H23N5O — CID 141012555

IUPAC9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine
SMILESCOCCCCNc1ncc2ncn(C3CCCC3)c2n1
InChIInChI=1S/C15H23N5O/c1-21-9-5-4-8-16-15-17-10-13-14(19-15)20(11-18-13)12-6-2-3-7-12/h10-12H,2-9H2,1H3,(H,16,17,19)
InChIKeyGQJZVTRCIBHZBO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.78
Rot. Bonds7

About 9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine

9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine (PubChem CID 141012555) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine.

Molecular Properties

Compound Name9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine
PubChem CID141012555
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine
SMILESCOCCCCNc1ncc2ncn(C3CCCC3)c2n1
InChIInChI=1S/C15H23N5O/c1-21-9-5-4-8-16-15-17-10-13-14(19-15)20(11-18-13)12-6-2-3-7-12/h10-12H,2-9H2,1H3,(H,16,17,19)
InChIKeyGQJZVTRCIBHZBO-UHFFFAOYSA-N
XLogP2.78
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine?
The IUPAC name of 9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine (CID 141012555) is 9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine.
What is the SMILES notation for 9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine?
The canonical SMILES for 9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine is COCCCCNc1ncc2ncn(C3CCCC3)c2n1.
What is the InChIKey of 9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine?
The InChIKey is GQJZVTRCIBHZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-21-9-5-4-8-16-15-17-10-13-14(19-15)20(11-18-13)12-6-2-3-7-12/h10-12H,2-9H2,1H3,(H,16,17,19).
What are the key properties of 9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine?
9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine is sourced from PubChem (CID 141012555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).