4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-
Basic information
- CAS
3601-73-8- Standard SMILES
O=c1ccnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]1- InChIKey
AULQVXZKKOEICL-UHFFFAOYSA-N- Molecular formula
- C16H18N4O3
- Average molar mass
- 314.34 g/mol
- Monoisotopic mass
- 314.13789045
Names & identifiers
- Preferred name
- 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-
- IUPAC
- 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-pyrimidin-6-one
- English name
- 2-(4-Piperonyl-1-piperazinyl)-4-pyrimidinol
- Molecular weight
- 0
Names & synonyms
3601-73-84-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-2-(4-Piperonyl-1-piperazinyl)4-pyrimidinolDTXSID201895681-(3,4-Methylenedioxybenzyl)-4-(4-hydroxy-2-pyrimidyl)piperazineRefChem:296163DTXCID801120592-(4-Piperonyl-1-piperazinyl)-4-pyrimidinol2-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidin-4(3H)-one
Database identifiers
- CAS
3601-73-8- PubChem CID
- 198982
- DTXSID
DTXSID20189568- Nikkaji
- J87.030G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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