n4-(4-Bromophenyl)-6-chloropyrimidine-2,4-diamine
Basic information
- CAS
7400-36-4- Standard SMILES
Nc1nc(Cl)cc(Nc2ccc(Br)cc2)n1- InChIKey
FQMYBYIBTNBWSR-UHFFFAOYSA-N- Molecular formula
- C10H8BrClN4
- Average molar mass
- 299.55 g/mol
- Monoisotopic mass
- 297.96209
Names & identifiers
- Preferred name
- n4-(4-Bromophenyl)-6-chloropyrimidine-2,4-diamine
- IUPAC
- 4-N-(4-bromophenyl)-6-chloropyrimidine-2,4-diamine
Names & synonyms
n4-(4-bromophenyl)-6-chloropyrimidine-2,4-diamine7400-36-4NSC55194NCIOpen2_002239DTXSID80995283N-(4-BROMOPHENYL)-6-CHLORO-PYRIMIDINE-2,4-DIAMINENSC-55194AKOS019302528DS-001932N-(4-Bromophenyl)-6-chloro-2-imino-1,2-dihydropyrimidin-4-amine
Database identifiers
- CAS
7400-36-4- PubChem CID
- 244334
- DTXSID
DTXSID80995283- Nikkaji
- J3.415.186E
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
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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