(4-Amino-2-(ethylsulfinyl)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone
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Basic information
- Standard SMILES
CCS(=O)c1ncc(C(=O)c2c(OC)ccc(F)c2F)c(N)n1- InChIKey
PBWBXNGPPKWIAX-UHFFFAOYSA-N- Molecular formula
- C14H13F2N3O3S
- Average molar mass
- 341.34 g/mol
- Monoisotopic mass
- 341.06456878
Names & identifiers
- Preferred name
- (4-Amino-2-(ethylsulfinyl)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone
- IUPAC
- (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2,3-difluoro-6-methoxyphenyl)methanone
Names & synonyms
(4-amino-2-(ethylsulfinyl)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone741714-01-2SCHEMBL4348131PBWBXNGPPKWIAX-UHFFFAOYSA-N(4-amino-2-ethanesulfinyl-pyrimidin-5-yl)-(2,3-difluoro-6-methoxy-phenyl)-methanone
Database identifiers
- PubChem CID
- 21070554
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 457
Related reactions
5 records
Compound notes
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