2-[(2,4-dichlorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine
Basic information
- CAS
91762-99-1- Standard SMILES
CNc1nc(SCc2ccc(Cl)cc2Cl)ncc1C- InChIKey
AZVHOXURBMGEKN-UHFFFAOYSA-N- Molecular formula
- C13H13Cl2N3S
- Average molar mass
- 314.2 g/mol
- Monoisotopic mass
- 313.020724
Names & identifiers
- Preferred name
- 2-[(2,4-dichlorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine
- IUPAC
- 2-[(2,4-dichlorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine
Names & synonyms
91762-99-1NSC47688DTXSID10919538NSC-476882-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-N,5-dimethylpyrimidin-4(3H)-imine
Database identifiers
- CAS
91762-99-1- PubChem CID
- 240879
- DTXSID
DTXSID10919538
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…