6-n-octylaminouracil   Click here for help

GtoPdb Ligand ID: 5846

Synonyms: 6-n-octyl aminouracil
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: 6-n-octylaminouracil is a lipid-mimetic structure that acts as a synthetic GPR84 agonist [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 77.75
Molecular weight 239.16
XLogP 3.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
Isomeric SMILES CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
InChI InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h9H,2-8H2,1H3,(H3,13,14,15,16,17)
InChI Key PFSWASUQURIOOR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-(octylamino)-1H-pyrimidine-2,4-dione
Synonyms Click here for help
6-n-octyl aminouracil
Database Links Click here for help
GtoPdb PubChem SID 178102470
PubChem CID 10354234
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