2-((2-Chlorobenzyl)sulfonyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
Completing data — refresh the page later to see the latest
Basic information
- CAS
477852-11-2- Standard SMILES
Cc1nc(S(=O)(=O)Cc2ccccc2Cl)nc2c1CCC2- InChIKey
PKDYEQJIQDWHRT-UHFFFAOYSA-N- Molecular formula
- C15H15ClN2O2S
- Average molar mass
- 322.8 g/mol
- Monoisotopic mass
- 322.0542766
Names & identifiers
- Preferred name
- 2-((2-Chlorobenzyl)sulfonyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
- IUPAC
- 2-[(2-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
- English name
- 2-CHLOROBENZYL 4-METHYL-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-2-YL SULFONE
- Molecular formula
- C15H15ClN2O2S
- Molecular weight
- 322.81
Names & synonyms
477852-11-22-((2-Chlorobenzyl)sulfonyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine2-[(2-chlorophenyl)methanesulfonyl]-4-methyl-5H,6H,7H-cyclopenta[d]pyrimidine2-[(2-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine2-((2-Chlorobenzyl)sulfonyl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidineBionet2_0014792-chlorobenzyl 4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl sulfoneOprea1_390734MLS000694868CHEMBL1729982HMS1368D15HMS2640J05
Show more names
2-[(2-CHLOROBENZYL)SULFONYL]-4-METHYL-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDINE5H-Cyclopentapyrimidine, 2-[[(2-chlorophenyl)methyl]sulfonyl]-6,7-dihydro-4-methyl- (9CI)
AKOS005076990SMR00033317811D-100
Database identifiers
- CAS
477852-11-2- PubChem CID
- 2766487
- ChEMBL
CHEMBL1729982
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…