6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dione
Basic information
- CAS
21333-02-8- Standard SMILES
O=c1cc(Nc2ccc(Cl)cc2)[nH]c(=O)[nH]1- InChIKey
POKMZWROIKHVLE-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3O2
- Average molar mass
- 237.64 g/mol
- Monoisotopic mass
- 237.0305042
Names & identifiers
- Preferred name
- 6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dione
- IUPAC
- 6-(4-chloroanilino)-1H-pyrimidine-2,4-dione
Names & synonyms
21333-02-8CHEMBL516946-(4-chloroanilino)-1H-pyrimidine-2,4-dioneSTK3748026-[(4-chlorophenyl)amino]pyrimidine-2,4(1H,3H)-dione6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dioneNSC210499Oprea1_000118Oprea1_449957SCHEMBL5309531DTXSID10308968BDBM50028338
Show more names
AKOS001620570NSC-210499PD182734ST50876537AB00091363-016-(4-Chloroanilino)pyrimidine-2,4(1H,3H)-dione6-(4-chlorophenylamino)pyrimidine-2,4(1H,3H)-dione6-[(4-chlorophenyl)amino]-1,3-dihydropyrimidine-2,4-dione
Database identifiers
- CAS
21333-02-8- PubChem CID
- 308646
- DTXSID
DTXSID10308968- ChEMBL
CHEMBL51694
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 335
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Compound notes
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