9-[(4-fluorophenyl)methyl]-N-[1-[2-(2-thiazolylamino)ethyl)-4-piperidinyl]-9H-purin-8-amine

HCID 19785301
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Basic information

Standard SMILES
Fc1ccc(Cn2c(NC3CCN(CCNc4nccs4)CC3)nc3cncnc32)cc1
InChIKey
OMSXDOJAIOZBKU-UHFFFAOYSA-N
Molecular formula
C22H25FN8S
Average molar mass
452.6 g/mol

Names & identifiers

Preferred name
9-[(4-fluorophenyl)methyl]-N-[1-[2-(2-thiazolylamino)ethyl)-4-piperidinyl]-9H-purin-8-amine
IUPAC
N-[2-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]ethyl]-1,3-thiazol-2-amine

Names & synonyms

SCHEMBL9564954OMSXDOJAIOZBKU-UHFFFAOYSA-N9-[(4-fluorophenyl)methyl]-N-[1-[2-(2-thiazolylamino)ethyl)-4-piperidinyl]-9H-purin-8-amine

Database identifiers

PubChem CID
19785301

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
112 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
32

Related reactions

3 records
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Compound notes

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