Basic information
- Standard SMILES
CN(C)C1CCC(Nc2ncnc3scc(Br)c23)CC1- InChIKey
KPOODMOXMSTJMJ-UHFFFAOYSA-N- Molecular formula
- C14H19BrN4S
- Average molar mass
- 355.3 g/mol
Names & identifiers
- Preferred name
- 4-N-[5-bromothieno[2,3-d]pyrimidin-4-yl]-1-N,1-N-dimethylcyclohexane-1,4-diamine
- IUPAC
- 1-N-(5-bromothieno[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
Names & synonyms
SCHEMBL10343541SCHEMBL13583920KPOODMOXMSTJMJ-UHFFFAOYSA-N4-N-[5-bromothieno[2,3-d]pyrimidin-4-yl]-1-N,1-N-dimethylcyclohexane-1,4-diamine
Database identifiers
- PubChem CID
- 68115342
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
1 records
Compound notes
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