Basic information
- Standard SMILES
CS(=O)c1cccc(CNc2ncc(C(F)(F)F)c(Cl)n2)c1- InChIKey
PPEGYSANDJYUAO-UHFFFAOYSA-N- Molecular formula
- C13H11ClF3N3OS
- Average molar mass
- 349.76 g/mol
- Monoisotopic mass
- 349.0263453
Names & identifiers
- Preferred name
- 4-chloro-N-[3-(methylsulfinyl)benzyl]-5-(trifluoromethyl)pyrimidin-2-amine
- IUPAC
- 4-chloro-N-[(3-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-2-amine
Names & synonyms
4-chloro-N-[3-(methylsulfinyl)benzyl]-5-(trifluoromethyl)pyrimidin-2-amineSCHEMBL2031811
Database identifiers
- PubChem CID
- 87326352
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Related reactions
1 records
Compound notes
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