Basic information
- Standard SMILES
CSc1nccc(-c2cccnc2Oc2ccc(N)cc2)n1- InChIKey
WKYZHONWEKVPLB-UHFFFAOYSA-N- Molecular formula
- C16H14N4OS
- Average molar mass
- 310.4 g/mol
Names & identifiers
- Preferred name
- 4-{3-[2-(Methylthio)pyrimidin-4-yl]pyridin-2-yloxy}benzeneamine
- IUPAC
- 4-[[3-(2-methylsulfanylpyrimidin-4-yl)-2-pyridinyl]oxy]aniline
Names & synonyms
945599-72-44-{3-[2-(methylthio)pyrimidin-4-yl]pyridin-2-yloxy}benzeneamineSCHEMBL581233WKYZHONWEKVPLB-UHFFFAOYSA-NDB-2950904-(3-(2-(methylthio)pyrimidin-4-yl)pyridin-2-yloxy) benzenamine4-(3-(2-(methylthio)pyrimidin-4-yl)pyridin-2-yloxy)benzenamine
Database identifiers
- PubChem CID
- 66731913
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 338
Related reactions
9 records
Linked notes
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