Basic information
- CAS
91066-68-1- Standard SMILES
Cc1ccccc1Nc1cc(Cl)nc(N)n1- InChIKey
UZRJVIKDSYXANQ-UHFFFAOYSA-N- Molecular formula
- C11H11ClN4
- Average molar mass
- 234.68 g/mol
- Monoisotopic mass
- 234.0672241
Names & identifiers
- Preferred name
- 6-chloro-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
- IUPAC
- 6-chloro-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
Names & synonyms
91066-68-1NSC47792NSC 477926-chloro-4-N-(2-methylphenyl)pyrimidine-2,4-diamineSCHEMBL3719304DTXSID30286810NSC-47792AKOS0030969786-chloro-N4-(o-tolyl)pyrimidine-2,4-diamine2,4-Pyrimidinediamine, 6-chloro-N4-(2-methylphenyl)-6-Chloro-N~4~-(2-methylphenyl)pyrimidine-2,4-diamine
Database identifiers
- CAS
91066-68-1- PubChem CID
- 240899
- DTXSID
DTXSID30286810
Properties
Computed structural properties
- XLogP
- 3.1
- 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
Loading…