Basic information
- CAS
83623-05-6- Standard SMILES
CSc1c(N)nc(Cl)nc1N.CSc1c(N)nc(N)nc1Cl- InChIKey
PPOBQCNZQVIQND-UHFFFAOYSA-N- Molecular formula
- C10H14Cl2N8S2
- Average molar mass
- 381.3 g/mol
- Monoisotopic mass
- 380.0159902
Names & identifiers
- Preferred name
- 2-Chloro-5-methylsulfanylpyrimidine-4,6-diamine;6-chloro-5-methylsulfanylpyrimidine-2,4-diamine
- IUPAC
- 2-chloro-5-methylsulfanylpyrimidine-4,6-diamine;6-chloro-5-methylsulfanylpyrimidine-2,4-diamine
Names & synonyms
UKJ 150683623-05-6DTXSID002324652-Chloro-5-(methylsulfanyl)pyrimidine-4,6-diamine--6-chloro-5-(methylsulfanyl)pyrimidine-2,4-diamine (1/1)
Database identifiers
- CAS
83623-05-6- PubChem CID
- 55052
- DTXSID
DTXSID00232465
Properties
Computed structural properties
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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