Basic information
- CAS
620931-02-4- Standard SMILES
O=C(O)C=CC(=O)N1CCN(c2ncccn2)CC1- InChIKey
BPEYYNOOIHVOKJ-UHFFFAOYSA-N- Molecular formula
- C12H14N4O3
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.10659032
Names & identifiers
- Preferred name
- 4-Oxo-4-[4-(pyrimidin-2-YL)piperazin-1-YL]but-2-enoic acid
- IUPAC
- 4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-enoic acid
Names & synonyms
4-Oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]-2-butenoic acidDTXSID3011980394-OXO-4-[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]BUT-2-ENOIC ACID620931-02-4
Database identifiers
- CAS
620931-02-4- PubChem CID
- 4730232
- DTXSID
DTXSID301198039
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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