9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine

HCID 448969
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Basic information

Standard SMILES
CCCCn1c(Cc2cc(OC)ccc2OC)nc2c(N)ncnc21
InChIKey
PPFZLLAIQRZNJE-UHFFFAOYSA-N
Molecular formula
C18H23N5O2
Average molar mass
341.4 g/mol

Names & identifiers

Preferred name
9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine
IUPAC
9-butyl-8-[(2,5-dimethoxyphenyl)methyl]purin-6-amine

Names & synonyms

9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE9-butyl-8-[(2,5-dimethoxyphenyl)methyl]-9H-purin-6-amine9-butyl-8-((2,5-dimethoxyphenyl)methyl)-9H-purin-6-amineRefChem:549287CHEMBL113194PU79-butyl-8-(2,5-dimethoxybenzyl)-9H-purin-6-amine1uycPurine-Based Inhibitor 5SCHEMBL1964201SCHEMBL30583202BDBM15378
Show more names
PPFZLLAIQRZNJE-UHFFFAOYSA-NDB02359PD0080138-(2,5-dimethoxybenzyl)-9-butyl adenineNS00069366Q27093372

Database identifiers

PubChem CID
448969
ChEMBL
CHEMBL113194
Nikkaji
J2.042.561J

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
88.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
25

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Related reactions

2 records
New reaction record

Compound notes

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