Basic information
- CAS
32650-65-0- Standard SMILES
Cc1cc(=O)[nH]c(CCNc2ccc(Cl)cc2)n1- InChIKey
BLLKVJHQJDQJAD-UHFFFAOYSA-N- Molecular formula
- C13H14ClN3O
- Average molar mass
- 263.72 g/mol
- Monoisotopic mass
- 263.0825398
Names & identifiers
- Preferred name
- 2-[2-(4-Chloroanilino)ethyl]-6-methylpyrimidin-4(1H)-one
- IUPAC
- 2-[2-(4-chloroanilino)ethyl]-4-methyl-1H-pyrimidin-6-one
Names & synonyms
DTXSID7011776052-[2-(4-Chloroanilino)ethyl]-6-methylpyrimidin-4(1H)-one2-[2-[(4-Chlorophenyl)amino]ethyl]-6-methyl-4(3H)-pyrimidinone32650-65-0
Database identifiers
- CAS
32650-65-0- PubChem CID
- 165352012
- DTXSID
DTXSID701177605
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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