Basic information
- Standard SMILES
Cc1cnc(Nc2nc(C)cc(C)n2)c(Br)c1- InChIKey
BRQMTIKANFBZPV-UHFFFAOYSA-N- Molecular formula
- C12H13BrN4
- Average molar mass
- 293.16 g/mol
Names & identifiers
- Preferred name
- N-[3-bromo-5-methyl-pyridin-2-yl]-4,6-dimethyl-2-pyrimidinamine
- IUPAC
- N-(3-bromo-5-methyl-2-pyridinyl)-4,6-dimethylpyrimidin-2-amine
Names & synonyms
SCHEMBL7683483BRQMTIKANFBZPV-UHFFFAOYSA-NN-[3-bromo-5-methyl-pyridin-2-yl]-4,6-dimethyl-2-pyrimidinamine
Database identifiers
- PubChem CID
- 18323693
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Related reactions
3 records
Compound notes
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