1,3-dicyclohexyl-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Basic information
- CAS
299937-62-5- Standard SMILES
O=c1c(C=NCCN2CCNCC2)c(O)n(C2CCCCC2)c(=O)n1C1CCCCC1- InChIKey
BAOMNKZJOXRHJA-UHFFFAOYSA-N- Molecular formula
- C23H37N5O3
- Average molar mass
- 431.6 g/mol
- Monoisotopic mass
- 431.28964006
Names & identifiers
- Preferred name
- 1,3-dicyclohexyl-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 1,3-dicyclohexyl-6-hydroxy-5-(2-piperazin-1-ylethyliminomethyl)pyrimidine-2,4-dione
Names & synonyms
SMR0000364751,3-dicyclohexyl-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione1,3-dicyclohexyl-5-({[2-(1-piperazinyl)ethyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione1,3-Dicyclohexyl-5-[[[2-(1-piperazinyl)ethyl]amino]methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione299937-62-5MLS000038437MLS002581724CHEMBL1523817SCHEMBL21981615DTXSID901118241HMS2434K24STK024364
Show more names
AKOS005379725NCGC00021000-01NCGC00021000-021,3-DICYCLOHEXYL-5-({[2-(PIPERAZIN-1-YL)ETHYL]AMINO}METHYLIDENE)-1,3-DIAZINANE-2,4,6-TRIONEAK-968/121171281,3-dicyclohexyl-5-(((2-(piperazin-1-yl)ethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
Database identifiers
- CAS
299937-62-5- PubChem CID
- 658071
- DTXSID
DTXSID901118241- ChEMBL
CHEMBL1523817
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 704
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Compound notes
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