8-(4-phenylbutyl)-7H-purin-6-amine

C15H17N5 — CID 4019685

IUPAC8-(4-phenylbutyl)-7H-purin-6-amine
SMILESNc1ncnc2nc(CCCCc3ccccc3)[nH]c12
InChIInChI=1S/C15H17N5/c16-14-13-15(18-10-17-14)20-12(19-13)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H3,16,17,18,19,20)
InChIKeyUGHPYTKQAHTHBU-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.50
Rot. Bonds5

About 8-(4-phenylbutyl)-7H-purin-6-amine

8-(4-phenylbutyl)-7H-purin-6-amine (PubChem CID 4019685) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 8-(4-phenylbutyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(4-phenylbutyl)-7H-purin-6-amine
PubChem CID4019685
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name8-(4-phenylbutyl)-7H-purin-6-amine
SMILESNc1ncnc2nc(CCCCc3ccccc3)[nH]c12
InChIInChI=1S/C15H17N5/c16-14-13-15(18-10-17-14)20-12(19-13)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H3,16,17,18,19,20)
InChIKeyUGHPYTKQAHTHBU-UHFFFAOYSA-N
XLogP2.50
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 8-(4-phenylbutyl)-7H-purin-6-amine?
The IUPAC name of 8-(4-phenylbutyl)-7H-purin-6-amine (CID 4019685) is 8-(4-phenylbutyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(4-phenylbutyl)-7H-purin-6-amine?
The canonical SMILES for 8-(4-phenylbutyl)-7H-purin-6-amine is Nc1ncnc2nc(CCCCc3ccccc3)[nH]c12.
What is the InChIKey of 8-(4-phenylbutyl)-7H-purin-6-amine?
The InChIKey is UGHPYTKQAHTHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-14-13-15(18-10-17-14)20-12(19-13)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H3,16,17,18,19,20).
What are the key properties of 8-(4-phenylbutyl)-7H-purin-6-amine?
8-(4-phenylbutyl)-7H-purin-6-amine has a molecular weight of 267.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenylbutyl)-7H-purin-6-amine is sourced from PubChem (CID 4019685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).