4-(3-Chlorophenylamino)-6-methylpyrimidin-2-amine
Basic information
- CAS
7781-33-1- Standard SMILES
Cc1cc(Nc2cccc(Cl)c2)nc(N)n1- InChIKey
KHXGRDXFRACHSV-UHFFFAOYSA-N- Molecular formula
- C11H11ClN4
- Average molar mass
- 234.68 g/mol
- Monoisotopic mass
- 234.0672241
Names & identifiers
- Preferred name
- 4-(3-Chlorophenylamino)-6-methylpyrimidin-2-amine
- IUPAC
- 4-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
Names & synonyms
7781-33-1CHEMBL4104760N4-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamineNSC475254-(3-chlorophenylamino)-6-methylpyrimidin-2-amineSCHEMBL20354975DTXSID20999023BDBM50254819NSC-47525AKOS015937866N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamineN~4~-(3-Chlorophenyl)-6-methylpyrimidine-2,4(1H,3H)-diimine
Database identifiers
- CAS
7781-33-1- PubChem CID
- 240808
- DTXSID
DTXSID20999023- ChEMBL
CHEMBL4104760
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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