Basic information
- Standard SMILES
CSc1ncc(Br)c(NC2CCCNC2)n1- InChIKey
XVJOCIKZQMMSRU-UHFFFAOYSA-N- Molecular formula
- C10H15BrN4S
- Average molar mass
- 303.22 g/mol
- Monoisotopic mass
- 302.02008
Names & identifiers
- Preferred name
- 5-bromo-2-methylsulfanyl-N-piperidin-3-ylpyrimidin-4-amine
- IUPAC
- 5-bromo-2-methylsulfanyl-N-piperidin-3-ylpyrimidin-4-amine
Names & synonyms
SCHEMBL6519445
Database identifiers
- PubChem CID
- 69810076
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Related reactions
3 records
Compound notes
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