2-[(3-Methylbutyl)oxy]-8-(methoxy)-9-(tetrahydro-2H-pyran-4-ylmethyl)-9H-Purin-6-amine

HCID 57699786

Basic information

Standard SMILES
COc1nc2c(N)nc(OCCC(C)C)nc2n1CC1CCOCC1
InChIKey
JDEFKLYFVKLFSL-UHFFFAOYSA-N
Molecular formula
C17H27N5O3
Average molar mass
349.4 g/mol

Names & identifiers

Preferred name
2-[(3-Methylbutyl)oxy]-8-(methoxy)-9-(tetrahydro-2H-pyran-4-ylmethyl)-9H-Purin-6-amine
IUPAC
8-methoxy-2-(3-methylbutoxy)-9-(oxan-4-ylmethyl)purin-6-amine

Names & synonyms

SCHEMBL2197718JDEFKLYFVKLFSL-UHFFFAOYSA-N2-[(3-Methylbutyl)oxy]-8-(methoxy)-9-(tetrahydro-2H-pyran-4-ylmethyl)-9H-Purin-6-amine2-[(3-methylbutyl)oxy]-8-methoxy-9-(tetrahydro-2H-pyran-4-ylmethyl)-9H-purin-6-amine

Database identifiers

PubChem CID
57699786

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
97.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
25

Related reactions

4 records

Compound notes

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