Basic information
- Standard SMILES
Cc1nccc(Nc2cc(Br)cn(C)c2=O)n1- InChIKey
IOKRDRAFOFVRAK-UHFFFAOYSA-N- Molecular formula
- C11H11BrN4O
- Average molar mass
- 295.14 g/mol
- Monoisotopic mass
- 294.01162
Names & identifiers
- Preferred name
- 5-Bromo-1-methyl-3-(2-methylpyrimidin-4-ylamino)pyridin-2(1H)-one
- IUPAC
- 5-bromo-1-methyl-3-[(2-methylpyrimidin-4-yl)amino]pyridin-2-one
Names & synonyms
5-Bromo-1-methyl-3-(2-methylpyrimidin-4-ylamino)pyridin-2(1H)-oneSCHEMBL10290275IOKRDRAFOFVRAK-UHFFFAOYSA-N1346674-05-2DB-219333
Database identifiers
- PubChem CID
- 68096883
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 380
Related reactions
9 records
Compound notes
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