Basic information
- CAS
129225-01-0- Standard SMILES
CN(C)CCSc1cccc(-c2ccnc(-c3cccc(SCCN(C)C)c3)n2)c1- InChIKey
SPBXJBKYCFMHEP-UHFFFAOYSA-N- Molecular formula
- C24H30N4S2
- Average molar mass
- 438.7 g/mol
- Monoisotopic mass
- 438.19118932
Names & identifiers
- Preferred name
- 2,4-Bis(3'((2''-(dimethylamino)ethyl)thio)phenyl)pyrimidine
- IUPAC
- 2-[3-[2-[3-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine
Names & synonyms
2,4-Bis(3'((2''-(dimethylamino)ethyl)thio)phenyl)pyrimidine129225-01-0CHEMBL347416DTXSID001561122,2'-[Pyrimidine-2,4-diylbis(3,1-phenylenesulfanediyl)]bis(N,N-dimethylethan-1-amine)Ethanamine, 2,2'-[2,4-pyrimidinediylbis(3,1-phenylenethio)]bis[N,N-dimethyl-2-[3-[2-[3-(2-dimethylaminoethylsulfanyl)phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethyl-ethanamine
Database identifiers
- CAS
129225-01-0- PubChem CID
- 148145
- DTXSID
DTXSID00156112- ChEMBL
CHEMBL347416- Nikkaji
- J373.932E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…