6-(Bromomethyl)-5-(4-chlorophenyl)pyrimidine-2,4-diamine
Basic information
- CAS
2080-15-1- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)cc2)c(CBr)n1- InChIKey
XPLHYVSXKPCAQB-UHFFFAOYSA-N- Molecular formula
- C11H10BrClN4
- Average molar mass
- 313.58 g/mol
- Monoisotopic mass
- 311.97774
Names & identifiers
- Preferred name
- 6-(Bromomethyl)-5-(4-chlorophenyl)pyrimidine-2,4-diamine
- IUPAC
- 6-(bromomethyl)-5-(4-chlorophenyl)pyrimidine-2,4-diamine
Names & synonyms
2080-15-16-(bromomethyl)-5-(4-chlorophenyl)pyrimidine-2,4-diamineDTXSID30309457NSC212016NSC-212016
Database identifiers
- CAS
2080-15-1- PubChem CID
- 309671
- DTXSID
DTXSID30309457
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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