5-(4-Chlorophenyl)-6-ethoxypyrimidine-2,4-diamine
Basic information
- CAS
61539-16-0- Standard SMILES
CCOc1nc(N)nc(N)c1-c1ccc(Cl)cc1- InChIKey
YBRXIJRFDSXLHT-UHFFFAOYSA-N- Molecular formula
- C12H13ClN4O
- Average molar mass
- 264.71 g/mol
- Monoisotopic mass
- 264.0777887
Names & identifiers
- Preferred name
- 5-(4-Chlorophenyl)-6-ethoxypyrimidine-2,4-diamine
- IUPAC
- 5-(4-chlorophenyl)-6-ethoxypyrimidine-2,4-diamine
Names & synonyms
61539-16-05-(4-chlorophenyl)-6-ethoxypyrimidine-2,4-diamineDTXSID50311951RefChem:299897DTXCID80263075NSC248038AKOS015917155NSC-248038
Database identifiers
- CAS
61539-16-0- PubChem CID
- 317249
- DTXSID
DTXSID50311951
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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