6-Phenylbutylaminopurine

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Basic information

CAS: 15396-44-8
Standard SMILES: c1ccc(CCCCNc2ncnc3nc[nH]c23)cc1
InChIKey: UOSAOTJSBOMRIF-UHFFFAOYSA-N
Molecular formula: C15H17N5
Average molar mass: 267.33 g/mol
Monoisotopic mass: 267.14839556

Names & identifiers

Preferred name: 6-Phenylbutylaminopurine
IUPAC: N-(4-phenylbutyl)-7H-purin-6-amine

Names & synonyms

6-PhenylbutylaminopurineAdenine, N-(4-phenylbutyl)-ADENINE,N6-4-PHENYLBUTYLDTXSID80877813n6-(4-phenylbutan-1-yl)adenineN-(4-Phenylbutyl)-3H-purin-6-amine15396-44-8

Database identifiers

CAS: 15396-44-8
PubChem CID: 167283
DTXSID: DTXSID80877813

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 279

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Compound notes

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