Pyrimidine, 4-ethoxy-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride
Basic information
- CAS
19984-72-6- Standard SMILES
CCOc1ccnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1.Cl.Cl- InChIKey
IQNGSIBHFYVZLC-UHFFFAOYSA-N- Molecular formula
- C18H24Cl2N4O3
- Average molar mass
- 415.3 g/mol
- Monoisotopic mass
- 414.122546
Names & identifiers
- Preferred name
- Pyrimidine, 4-ethoxy-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride
- IUPAC
- 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-ethoxypyrimidine;dihydrochloride
Names & synonyms
Pyrimidine, 4-ethoxy-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride4-Ethoxy-2-(4-piperonyl-1-piperazinyl)pyrimidine dihydrochlorideDTXSID80173781RefChem:377640DTXCID509627219984-72-62-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-4-ethoxypyrimidine--hydrogen chloride (1/2)
Database identifiers
- CAS
19984-72-6- PubChem CID
- 209541
- DTXSID
DTXSID80173781
Properties
Computed structural properties
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…