6-Chloro-5-(methanesulfonyl)pyrimidine-2,4-diamine
Basic information
- CAS
78744-33-9- Standard SMILES
CS(=O)(=O)c1c(N)nc(N)nc1Cl- InChIKey
RJTOPORKJBWXQW-UHFFFAOYSA-N- Molecular formula
- C5H7ClN4O2S
- Average molar mass
- 222.65 g/mol
- Monoisotopic mass
- 221.9978243
Names & identifiers
- Preferred name
- 6-Chloro-5-(methanesulfonyl)pyrimidine-2,4-diamine
- IUPAC
- 6-chloro-5-methylsulfonylpyrimidine-2,4-diamine
Names & synonyms
78744-33-96-chloro-5-(methylsulfonyl)pyrimidine-2,4-diamine6-Chloro-5-(methanesulfonyl)pyrimidine-2,4-diamineSCHEMBL10955974DTXSID70275602
Database identifiers
- CAS
78744-33-9- PubChem CID
- 54265
- DTXSID
DTXSID70275602- Nikkaji
- J1.591.387H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 277
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Compound notes
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