Basic information
- CAS
56239-12-4- Standard SMILES
Nc1ncncc1-c1ccccc1Cl- InChIKey
ADTRWRAHTJEMCT-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3
- Average molar mass
- 205.64 g/mol
- Monoisotopic mass
- 205.040675
Names & identifiers
- Preferred name
- 5-(2-Chlorophenyl)pyrimidin-4-amine
- IUPAC
- 5-(2-chlorophenyl)pyrimidin-4-amine
Names & synonyms
5-(2-chlorophenyl)pyrimidin-4-amine56239-12-4MLS002639315HMS3091C19NSC30226CHEMBL2361554DTXSID00283174MFCD00187916NSC-30226SBB082392STL146822AKOS005141772
Show more names
5-(2-chlorophenyl)pyrimidine-4-ylamineSMR001548760VS-08741
Database identifiers
- CAS
56239-12-4- PubChem CID
- 232575
- DTXSID
DTXSID00283174- ChEMBL
CHEMBL2361554- Nikkaji
- J2.015.361J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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