1-[2-Hydroxy-3-(4-methylpiperazin-1-yl)propyl]-3,7-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Basic information
- CAS
69408-15-7- Standard SMILES
CN1CCN(CC(O)Cn2c(=O)c3c(nc(N4CCN(C)CC4)n3C)n(C)c2=O)CC1- InChIKey
MLYUKPLUSGDILV-UHFFFAOYSA-N- Molecular formula
- C20H34N8O3
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.27538698
Names & identifiers
- Preferred name
- 1-[2-Hydroxy-3-(4-methylpiperazin-1-yl)propyl]-3,7-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
- IUPAC
- 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-3,7-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Names & synonyms
NSC32667769408-15-71-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-3,7-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dioneCHEMBL1939334DTXSID80318155NSC-326677DS-0085461-[2-Hydroxy-3-(4-methylpiperazin-1-yl)propyl]-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
69408-15-7- PubChem CID
- 331828
- DTXSID
DTXSID80318155- ChEMBL
CHEMBL1939334
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 665
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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