Basic information
- Standard SMILES
CN(c1ncccc1CNc1nc(Cl)ncc1Cl)S(C)(=O)=O- InChIKey
MKWSASKFYYRLMW-UHFFFAOYSA-N- Molecular formula
- C12H13Cl2N5O2S
- Average molar mass
- 362.2 g/mol
- Monoisotopic mass
- 361.0167012
Names & identifiers
- Preferred name
- N-{3-[(2,5-dichloro-pyrimidin-4-ylamino)-methyl]-pyridin-2-yl}-N-methyl-methanesulphonamide
- IUPAC
- N-[3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
Names & synonyms
SCHEMBL13055175MKWSASKFYYRLMW-UHFFFAOYSA-NN-{3-[(2,5-dichloro-pyrimidin-4-ylamino)-methyl]-pyridin-2-yl}-N-methyl-methanesulphonamide
Database identifiers
- PubChem CID
- 86648149
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Related reactions
1 records
Compound notes
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