Basic information
- CAS
91065-70-2- Standard SMILES
Cc1cc(Nc2ccccc2Br)nc(N)n1- InChIKey
UGVMGSPTIJHKOR-UHFFFAOYSA-N- Molecular formula
- C11H11BrN4
- Average molar mass
- 279.14 g/mol
- Monoisotopic mass
- 278.01671
Names & identifiers
- Preferred name
- 4-N-(2-bromophenyl)-6-methylpyrimidine-2,4-diamine
- IUPAC
- 4-N-(2-bromophenyl)-6-methylpyrimidine-2,4-diamine
Names & synonyms
91065-70-2N~4~-(2-bromophenyl)-6-methyl-2,4-pyrimidinediamineCHEMBL4090135NSC475264-N-(2-bromophenyl)-6-methylpyrimidine-2,4-diamineSCHEMBL13963116DTXSID80919989BDBM50254886NSC-47526N~4~-(2-Bromophenyl)-6-methylpyrimidine-2,4(1H,3H)-diimine
Database identifiers
- CAS
91065-70-2- PubChem CID
- 240809
- DTXSID
DTXSID80919989- ChEMBL
CHEMBL4090135
Properties
Computed structural properties
- XLogP
- 2.8
- 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
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