8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
Basic information
- Standard SMILES
CCCn1c(=O)c2[nH]c(C34CCC(O)(CC3)CC4)nc2n(CCC)c1=O- InChIKey
JMEHHVKPUQMNOZ-UHFFFAOYSA-N- Molecular formula
- C19H28N4O3
- Average molar mass
- 360.5 g/mol
Names & identifiers
- Preferred name
- 8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
- IUPAC
- 8-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione
Names & synonyms
CHEMBL218458SCHEMBL1566457JMEHHVKPUQMNOZ-UHFFFAOYSA-NBDBM501993038-(4-Hydroxy bicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione8-(4-Hydroxy-bicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydro-purin-2,6-dione8-(4-Hydroxy-bicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
Database identifiers
- PubChem CID
- 9950776
- ChEMBL
CHEMBL218458
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 571
Related reactions
11 records
Compound notes
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