(4-Amino-2-ethylsulfanyl-pyrimidin-5-yl)-(2-trifluoromethyl-phenyl)-methanone

HCID 21070577
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Basic information

Standard SMILES
CCSc1ncc(C(=O)c2ccccc2C(F)(F)F)c(N)n1
InChIKey
VEBDMZKITXVEMT-UHFFFAOYSA-N
Molecular formula
C14H12F3N3OS
Average molar mass
327.33 g/mol

Names & identifiers

Preferred name
(4-Amino-2-ethylsulfanyl-pyrimidin-5-yl)-(2-trifluoromethyl-phenyl)-methanone
IUPAC
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanone

Names & synonyms

(4-Amino-2-ethylsulfanyl-pyrimidin-5-yl)-(2-trifluoromethyl-phenyl)-methanoneSCHEMBL4351059

Database identifiers

PubChem CID
21070577

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
94.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
22

Related reactions

4 records
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Compound notes

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