Basic information
- Standard SMILES
Cn1c(N2CCN(c3ccccc3)CC2)c(C=O)c(=O)n(C)c1=O- InChIKey
ITFKNYFLQSWTOF-UHFFFAOYSA-N- Molecular formula
- C17H20N4O3
- Average molar mass
- 328.4 g/mol
Names & identifiers
- Preferred name
- 1,3-Dimethyl-2,4-dioxo-6-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
- IUPAC
- 1,3-dimethyl-2,4-dioxo-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbaldehyde
Names & synonyms
SCHEMBL2211650ITFKNYFLQSWTOF-UHFFFAOYSA-N1,3-Dimethyl-2,4-dioxo-6-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
Database identifiers
- PubChem CID
- 58484341
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 560
Related reactions
2 records
Compound notes
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