2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-4,6-dimethylpyrimidine
Basic information
- CAS
90331-22-9- Standard SMILES
Cc1cc(C)nc(Sc2c(C)n[nH]c2C)n1- InChIKey
MQWJSMDNKNPJGH-UHFFFAOYSA-N- Molecular formula
- C11H14N4S
- Average molar mass
- 234.32 g/mol
- Monoisotopic mass
- 234.09391764
Names & identifiers
- Preferred name
- 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-4,6-dimethylpyrimidine
- IUPAC
- 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-4,6-dimethylpyrimidine
Names & synonyms
90331-22-92-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-4,6-dimethylpyrimidinePyrimidine, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]-4,6-dimethyl-HMS1396F08Enamine_000822MLS000048601CHEMBL1451248DTXSID20353681HMS2471E11STL348551AKOS001037983SMR000060503
Show more names
AE-848/32010015SR-01000028516SR-01000028516-1Z567851972-((3,5-dimethyl-1H-pyrazol-4-yl)thio)-4,6-dimethylpyrimidine3,5-dimethyl-1H-pyrazol-4-yl 4,6-dimethyl-2-pyrimidinyl sulfide
Database identifiers
- CAS
90331-22-9- PubChem CID
- 748060
- DTXSID
DTXSID20353681- ChEMBL
CHEMBL1451248
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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