2-[4-[(2-Chloro-4-pyrimidinyl)amino]phenoxy]ethanol
Basic information
- CAS
191728-84-4- Standard SMILES
OCCOc1ccc(Nc2ccnc(Cl)n2)cc1- InChIKey
LIKBLQVTZDVKSI-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O2
- Average molar mass
- 265.69 g/mol
- Monoisotopic mass
- 265.0618043
Names & identifiers
- Preferred name
- 2-[4-[(2-Chloro-4-pyrimidinyl)amino]phenoxy]ethanol
- IUPAC
- 2-[4-[(2-chloropyrimidin-4-yl)amino]phenoxy]ethanol
Names & synonyms
2-[4-[(2-Chloro-4-pyrimidinyl)amino]phenoxy]ethanolSCHEMBL6976469DTXSID101226060191728-84-42-{4-[(2-Chloropyrimidin-4-yl)amino]phenoxy}ethan-1-ol
Database identifiers
- CAS
191728-84-4- PubChem CID
- 21995223
- DTXSID
DTXSID101226060
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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