{6-[(4-Chlorophenyl)sulfanyl]-2-methyl-4-pyrimidinyl}methyl methyl ether
Basic information
- CAS
338747-85-6- Standard SMILES
COCc1cc(Sc2ccc(Cl)cc2)nc(C)n1- InChIKey
VZTBGKAJPZKVMC-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2OS
- Average molar mass
- 280.77 g/mol
- Monoisotopic mass
- 280.0437119
Names & identifiers
- Preferred name
- {6-[(4-Chlorophenyl)sulfanyl]-2-methyl-4-pyrimidinyl}methyl methyl ether
- IUPAC
- 4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-methylpyrimidine
Names & synonyms
338747-85-6{6-[(4-chlorophenyl)sulfanyl]-2-methyl-4-pyrimidinyl}methyl methyl ether4-[(4-chlorophenyl)sulfanyl]-6-(methoxymethyl)-2-methylpyrimidineMFCD014440554-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-methylpyrimidineMLS000764261CHEMBL1714099DTXSID901323002HMS2665H22AKOS0050903154M-514SSMR000335087
Show more names
4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-methyl-pyrimidine
Database identifiers
- CAS
338747-85-6- PubChem CID
- 1476798
- DTXSID
DTXSID901323002- ChEMBL
CHEMBL1714099
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
Experimental & physicochemical properties
Solubility40.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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