Basic information
- CAS
60722-63-6- Standard SMILES
CSc1nc(N)cc(NCc2ccccc2)n1- InChIKey
QJXQRYOGPKRWFW-UHFFFAOYSA-N- Molecular formula
- C12H14N4S
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.09391764
Names & identifiers
- Preferred name
- N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine
- IUPAC
- 4-N-benzyl-2-methylsulfanylpyrimidine-4,6-diamine
Names & synonyms
60722-63-6NSC210410N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamineDTXSID00308932AKOS019338673NSC-210410
Database identifiers
- CAS
60722-63-6- PubChem CID
- 308587
- DTXSID
DTXSID00308932- Nikkaji
- J1.224.019H
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
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