Basic information
- Standard SMILES
COc1cc(Br)c(N)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1- InChIKey
HFOMBFYRECYKBK-UHFFFAOYSA-N- Molecular formula
- C20H18BrN5O
- Average molar mass
- 424.3 g/mol
Names & identifiers
- Preferred name
- 4-bromo-6-methoxy-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,3-diamine
- IUPAC
- 4-bromo-6-methoxy-1-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,3-diamine
Names & synonyms
SCHEMBL14661053SCHEMBL30219237HFOMBFYRECYKBK-UHFFFAOYSA-N4-Bromo-6-methoxy-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-benzene-1,3-diamine4-bromo-6-methoxy-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,3-diamine
Database identifiers
- PubChem CID
- 86677347
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 497
Related reactions
2 records
Compound notes
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