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Compound
N-[2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide
HCID
87330140
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CS(=O)(=O)NC1CCCC1Nc1nc(Cl)ncc1Cl
InChIKey
WOQKRYKXLNRZRW-UHFFFAOYSA-N
Molecular formula
C10H14Cl2N4O2S
Average molar mass
325.2 g/mol
Monoisotopic mass
324.0214523
Names & identifiers
Preferred name
N-[2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide
IUPAC
N-[2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide
Names & synonyms
SCHEMBL2060390
Database identifiers
PubChem CID
87330140
Properties
Computed structural properties
XLogP
2.2
Topological polar surface area
92.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
403
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
118469
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
810729
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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N-[2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide (HCID 87330140)|Huagongshe