Basic information
- Standard SMILES
CN(C)c1nccc(-c2cc3ccc(OCCCF)cc3s2)n1- InChIKey
HKLKBJIPKYADSM-UHFFFAOYSA-N- Molecular formula
- C17H18FN3OS
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- 2-[2-(N,N-dimethylamino)pyrimidine-4-yl]-6-(3-fluoropropoxy)benzothiophene
- IUPAC
- 4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyrimidin-2-amine
Names & synonyms
SCHEMBL3056947HKLKBJIPKYADSM-UHFFFAOYSA-N2-[2-(N,N-dimethylamino)pyrimidine-4-yl]-6-(3-fluoropropoxy)benzothiophene
Database identifiers
- PubChem CID
- 46947729
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 374
Related reactions
2 records
Compound notes
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