Basic information
- Standard SMILES
Cc1ccc(Nc2cc(Nc3ccc(O)cc3)ncn2)c(Br)c1- InChIKey
YEOHEMQOOHWBPY-UHFFFAOYSA-N- Molecular formula
- C17H15BrN4O
- Average molar mass
- 371.2 g/mol
- Monoisotopic mass
- 370.04292
Names & identifiers
- Preferred name
- 4-(4-Hydroxyanilino)-6-(2-bromo-4-methylanilino)pyrimidine
- IUPAC
- 4-[[6-(2-bromo-4-methylanilino)pyrimidin-4-yl]amino]phenol
Names & synonyms
SCHEMBL5674241YEOHEMQOOHWBPY-UHFFFAOYSA-N4-(4-Hydroxyanilino)-6-(2-bromo-4-methylanilino)pyrimidine
Database identifiers
- PubChem CID
- 18009141
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 365
Related reactions
2 records
Compound notes
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