2-butyl-7-(4-phenylbutyl)purine

C19H24N4 — CID 22115462

IUPAC2-butyl-7-(4-phenylbutyl)purine
SMILESCCCCc1ncc2c(ncn2CCCCc2ccccc2)n1
InChIInChI=1S/C19H24N4/c1-2-3-12-18-20-14-17-19(22-18)21-15-23(17)13-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,14-15H,2-3,7-8,11-13H2,1H3
InChIKeyXLDQRMXHBVAXCI-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.19
Rot. Bonds8

About 2-butyl-7-(4-phenylbutyl)purine

2-butyl-7-(4-phenylbutyl)purine (PubChem CID 22115462) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-butyl-7-(4-phenylbutyl)purine.

Molecular Properties

Compound Name2-butyl-7-(4-phenylbutyl)purine
PubChem CID22115462
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name2-butyl-7-(4-phenylbutyl)purine
SMILESCCCCc1ncc2c(ncn2CCCCc2ccccc2)n1
InChIInChI=1S/C19H24N4/c1-2-3-12-18-20-14-17-19(22-18)21-15-23(17)13-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,14-15H,2-3,7-8,11-13H2,1H3
InChIKeyXLDQRMXHBVAXCI-UHFFFAOYSA-N
XLogP4.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
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 2-butyl-7-(4-phenylbutyl)purine?
The IUPAC name of 2-butyl-7-(4-phenylbutyl)purine (CID 22115462) is 2-butyl-7-(4-phenylbutyl)purine.
What is the SMILES notation for 2-butyl-7-(4-phenylbutyl)purine?
The canonical SMILES for 2-butyl-7-(4-phenylbutyl)purine is CCCCc1ncc2c(ncn2CCCCc2ccccc2)n1.
What is the InChIKey of 2-butyl-7-(4-phenylbutyl)purine?
The InChIKey is XLDQRMXHBVAXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-2-3-12-18-20-14-17-19(22-18)21-15-23(17)13-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,14-15H,2-3,7-8,11-13H2,1H3.
What are the key properties of 2-butyl-7-(4-phenylbutyl)purine?
2-butyl-7-(4-phenylbutyl)purine has a molecular weight of 308.43 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-(4-phenylbutyl)purine is sourced from PubChem (CID 22115462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).