Basic information
- CAS
220951-60-0- Standard SMILES
COc1nc(CO)nc(Cl)c1NC1=NCCN1- InChIKey
IGKGQTDWVDQXIV-UHFFFAOYSA-N- Molecular formula
- C9H12ClN5O2
- Average molar mass
- 257.68 g/mol
- Monoisotopic mass
- 257.0679523
Names & identifiers
- Preferred name
- Hydroxymethyl moxonidine
- IUPAC
- [4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-methoxypyrimidin-2-yl]methanol
Names & synonyms
Hydroxymethyl moxonidineMoxonidine metabolite M5K7BS88F6JEUNII-K7BS88F6JE220951-60-02-Hydroxymethyl-4-chloro-5-(imidazolidin-2-ylidenimino)-6-methoxypyrimidine2-Pyrimidinemethanol, 4-chloro-5-((4,5-dihydro-1H-imidazol-2-yl)amino)-6-methoxy-4-Chloro-5-((4,5-dihydro-1H-imidazol-2-yl)amino)-6-methoxy-2-pyrimidinemethanolSCHEMBL7477680
Database identifiers
- CAS
220951-60-0- PubChem CID
- 9838017
- UNII
- K7BS88F6JE
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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