n-(2-Methoxyphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine
Basic information
- CAS
6951-20-8- Standard SMILES
COc1ccccc1Nc1nc(SC)ncc1SC- InChIKey
LLIIBQKAWRAVPJ-UHFFFAOYSA-N- Molecular formula
- C13H15N3OS2
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.06565446
Names & identifiers
- Preferred name
- n-(2-Methoxyphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine
- IUPAC
- N-(2-methoxyphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine
Names & synonyms
6951-20-8n-(2-methoxyphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amineNSC54664DTXSID90288193NSC-54664
Database identifiers
- CAS
6951-20-8- PubChem CID
- 244103
- DTXSID
DTXSID90288193
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…