4-Amino-5-(3,4-dichlorophenyl)-1-(4-phenoxybutyl)pyrimidin-2-one
Basic information
- CAS
23572-58-9- Standard SMILES
Nc1nc(=O)n(CCCCOc2ccccc2)cc1-c1ccc(Cl)c(Cl)c1- InChIKey
RQQBCSPMIZLTSW-UHFFFAOYSA-N- Molecular formula
- C20H19Cl2N3O2
- Average molar mass
- 404.3 g/mol
- Monoisotopic mass
- 403.0854322
Names & identifiers
- Preferred name
- 4-Amino-5-(3,4-dichlorophenyl)-1-(4-phenoxybutyl)pyrimidin-2-one
- IUPAC
- 4-amino-5-(3,4-dichlorophenyl)-1-(4-phenoxybutyl)pyrimidin-2-one
Names & synonyms
23572-58-9NSC2113114-amino-5-(3,4-dichlorophenyl)-1-(4-phenoxybutyl)pyrimidin-2-oneCHEMBL3769658DTXSID70309198NSC-2113114-Amino-5-(3,4-dichlorophenyl)-1-(4-phenoxybutyl)pyrimidin-2(1H)-one
Database identifiers
- CAS
23572-58-9- PubChem CID
- 309141
- DTXSID
DTXSID70309198- ChEMBL
CHEMBL3769658
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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