4-Chloro-6-(3,4-dimethoxyphenyl)-2-(methylthio)pyrimidine

HCID 57636146
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Basic information

Standard SMILES
COc1ccc(-c2cc(Cl)nc(SC)n2)cc1OC
InChIKey
FQCMXYXYPZOFSJ-UHFFFAOYSA-N
Molecular formula
C13H13ClN2O2S
Average molar mass
296.77 g/mol

Names & identifiers

Preferred name
4-Chloro-6-(3,4-dimethoxyphenyl)-2-(methylthio)pyrimidine
IUPAC
4-chloro-6-(3,4-dimethoxyphenyl)-2-methylsulfanylpyrimidine

Names & synonyms

4-Chloro-6-(3,4-dimethoxyphenyl)-2-(methylthio)pyrimidine885067-60-7SCHEMBL4489879FQCMXYXYPZOFSJ-UHFFFAOYSA-NDB-1539304-chloro-6-(3,4-dimethoxy-phenyl)-2-methylsulfanyl-pyrimidinePyrimidine, 4-chloro-6-(3,4-dimethoxyphenyl)-2-(methylthio)-

Database identifiers

PubChem CID
57636146

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
69.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
19

Related reactions

2 records
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Linked notes

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