(4-Amino-2-ethylsulfanyl-pyrimidin-5-yl)-(2-fluoro-5-methoxy-4-methyl-phenyl)-methanone

HCID 21070575
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Basic information

Standard SMILES
CCSc1ncc(C(=O)c2cc(OC)c(C)cc2F)c(N)n1
InChIKey
YJKDTGRZXLSJER-UHFFFAOYSA-N
Molecular formula
C15H16FN3O2S
Average molar mass
321.4 g/mol
Monoisotopic mass
321.0947261

Names & identifiers

Preferred name
(4-Amino-2-ethylsulfanyl-pyrimidin-5-yl)-(2-fluoro-5-methoxy-4-methyl-phenyl)-methanone
IUPAC
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-5-methoxy-4-methylphenyl)methanone

Names & synonyms

SCHEMBL4350576YJKDTGRZXLSJER-UHFFFAOYSA-N(4-amino-2-ethylsulfanyl-pyrimidin-5-yl)-(2-fluoro-5-methoxy-4-methyl-phenyl)-methanone

Database identifiers

PubChem CID
21070575

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
103 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
22

Related reactions

3 records
New reaction record

Compound notes

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