Basic information
- CAS
6301-27-5- Standard SMILES
CCOc1ccccc1Nc1cc(Cl)ncn1- InChIKey
AGHOMKLQRUICRT-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O
- Average molar mass
- 249.69 g/mol
- Monoisotopic mass
- 249.0668897
Names & identifiers
- Preferred name
- 6-Chloro-n-(2-ethoxyphenyl)pyrimidin-4-amine
- IUPAC
- 6-chloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
Names & synonyms
6301-27-56-chloro-n-(2-ethoxyphenyl)pyrimidin-4-amineNSC44187DTXSID80286204NSC-44187AKOS010531541
Database identifiers
- CAS
6301-27-5- PubChem CID
- 239266
- DTXSID
DTXSID80286204
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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