6-benzylsulfanyl-4-N-methylpyrimidine-2,4-diamine
Basic information
- CAS
6332-18-9- Standard SMILES
CNc1cc(SCc2ccccc2)nc(N)n1- InChIKey
HOOPCRXZRUPHJW-UHFFFAOYSA-N- Molecular formula
- C12H14N4S
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.09391764
Names & identifiers
- Preferred name
- 6-benzylsulfanyl-4-N-methylpyrimidine-2,4-diamine
- IUPAC
- 6-benzylsulfanyl-4-N-methylpyrimidine-2,4-diamine
Names & synonyms
6332-18-9NSC37720DTXSID30979432NSC-37720AKOS0194526146-(Benzylsulfanyl)-2-imino-N-methyl-2,3-dihydropyrimidin-4-amine
Database identifiers
- CAS
6332-18-9- PubChem CID
- 235902
- DTXSID
DTXSID30979432
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…