Basic information
- CAS
6299-80-5- Standard SMILES
Nc1nc(SCc2ccccc2)c(-c2ccccc2)c(SCc2ccccc2)n1- InChIKey
DRWBZNMRNIMGAO-UHFFFAOYSA-N- Molecular formula
- C24H21N3S2
- Average molar mass
- 415.6 g/mol
- Monoisotopic mass
- 415.11769003
Names & identifiers
- Preferred name
- 4,6-Bis(benzylsulfanyl)-5-phenylpyrimidin-2-amine
- IUPAC
- 4,6-bis(benzylsulfanyl)-5-phenylpyrimidin-2-amine
Names & synonyms
6299-80-54,6-bis(benzylsulfanyl)-5-phenylpyrimidin-2-amineNSC45039DTXSID10328686NSC-45039
Database identifiers
- CAS
6299-80-5- PubChem CID
- 413103
- DTXSID
DTXSID10328686
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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