Basic information
- CAS
6303-47-5- Standard SMILES
OCCc1ccc(Nc2cc(Cl)ncn2)cc1- InChIKey
ALDXJMUDOOTYRK-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O
- Average molar mass
- 249.69 g/mol
- Monoisotopic mass
- 249.0668897
Names & identifiers
- Preferred name
- 2-[4-[(6-Chloropyrimidin-4-yl)amino]phenyl]ethanol
- IUPAC
- 2-[4-[(6-chloropyrimidin-4-yl)amino]phenyl]ethanol
Names & synonyms
2-[4-[(6-chloropyrimidin-4-yl)amino]phenyl]ethanol6303-47-52-{4-[(6-chloropyrimidin-4-yl)amino]phenyl}ethanolNSC43278DTXSID50285941NSC-432782-{4-[(6-Chloropyrimidin-4-yl)amino]phenyl}ethan-1-ol
Database identifiers
- CAS
6303-47-5- PubChem CID
- 238752
- DTXSID
DTXSID50285941
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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