Basic information
- CAS
90766-26-0- Standard SMILES
Nc1nc(Cl)cc(Nc2ccccc2Br)n1- InChIKey
XIFSUIZCYSCQJF-UHFFFAOYSA-N- Molecular formula
- C10H8BrClN4
- Average molar mass
- 299.55 g/mol
- Monoisotopic mass
- 297.96209
Names & identifiers
- Preferred name
- 4-N-(2-bromophenyl)-6-chloropyrimidine-2,4-diamine
- IUPAC
- 4-N-(2-bromophenyl)-6-chloropyrimidine-2,4-diamine
Names & synonyms
NSC4752190766-26-0DTXSID40920172NSC-47521AKOS0193025272,4-Pyrimidinediamine, N4-(2-bromophenyl)-6-chloro-N4-(2-bromophenyl)-6-chloro-pyrimidine-2,4-diamineN~4~-(2-Bromophenyl)-6-chloropyrimidine-2,4(1H,3H)-diimine
Database identifiers
- CAS
90766-26-0- PubChem CID
- 240804
- DTXSID
DTXSID40920172
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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