Basic information
- Standard SMILES
CC1=C(C(=O)NCCCN2CCN(C)CC2)C(c2cccc(Cl)c2)NC(=O)N1- InChIKey
RIZSAUARKPWREH-UHFFFAOYSA-N- Molecular formula
- C20H28ClN5O2
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1931528
Names & identifiers
- Preferred name
- 4-(3-Chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid [3-(4-methylpiperazine-yl)-propyl] amide
- IUPAC
- 4-(3-chlorophenyl)-6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
Names & synonyms
RIZSAUARKPWREH-UHFFFAOYSA-N4-(3-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid [3-(4-methylpiperazine-yl)-propyl] amide4-(3-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid [3-(4-methylpiperazine-yl)-propyl]amide
Database identifiers
- PubChem CID
- 20758902
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 603
Related reactions
2 records
Compound notes
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