N2-butyl-8-(methoxy)-9-[4-(tetrahydro-2H-pyran-3-yl)butyl]-9H-purine-2,6-diamine

HCID 57699752
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Basic information

Standard SMILES
CCCCNc1nc(N)c2nc(OC)n(CCCCC3CCCOC3)c2n1
InChIKey
IQAFNCZEGROYPY-UHFFFAOYSA-N
Molecular formula
C19H32N6O2
Average molar mass
376.5 g/mol
Monoisotopic mass
376.25867428

Names & identifiers

Preferred name
N2-butyl-8-(methoxy)-9-[4-(tetrahydro-2H-pyran-3-yl)butyl]-9H-purine-2,6-diamine
IUPAC
2-N-butyl-8-methoxy-9-[4-(oxan-3-yl)butyl]purine-2,6-diamine

Names & synonyms

SCHEMBL2201744IQAFNCZEGROYPY-UHFFFAOYSA-NN2-butyl-8-(methoxy)-9-[4-(tetrahydro-2H-pyran-3-yl)butyl]-9H-purine-2,6-diamine

Database identifiers

PubChem CID
57699752

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
100 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
27

Related reactions

4 records
New reaction record

Compound notes

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