4,5'-Bipyrimidine, 2,2'-dimethoxy-4',6-bis(methylthio)-
Basic information
- CAS
59549-55-2- Standard SMILES
COc1nc(SC)cc(-c2cnc(OC)nc2SC)n1- InChIKey
WTXIFQWYVYNEOH-UHFFFAOYSA-N- Molecular formula
- C12H14N4O2S2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.05581805
Names & identifiers
- Preferred name
- 4,5'-Bipyrimidine, 2,2'-dimethoxy-4',6-bis(methylthio)-
- IUPAC
- 2-methoxy-4-(2-methoxy-4-methylsulfanylpyrimidin-5-yl)-6-methylsulfanylpyrimidine
- English name
- 2,2'-Dimethoxy-4',6-bis(methylthio)-4,5'-bipyrimidine
- Molecular formula
- C12H14N4O2S2
- Molecular weight
- 310.4
Names & synonyms
4,5'-Bipyrimidine, 2,2'-dimethoxy-4',6-bis(methylthio)-59549-55-2DTXSID00347841RefChem:285082DTXCID30298913SCHEMBL2415417WTXIFQWYVYNEOH-UHFFFAOYSA-N2,2'-dimethoxy-4',6-bis(methylsulfanyl)-4,5'-bipyrimidine2,2'-Dimethoxy-4',6-bis(methylthio)-4,5'-bipyrimidine
Database identifiers
- CAS
59549-55-2- PubChem CID
- 626488
- DTXSID
DTXSID00347841- Nikkaji
- J131.936A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
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Compound notes
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