Basic information
- CAS
3829-69-4- Standard SMILES
COc1ccc(CN2CCN(c3ncccn3)CC2)c(OC)c1.Cl.Cl- InChIKey
JJWXUBCHIQFBBN-UHFFFAOYSA-N- Molecular formula
- C17H24Cl2N4O2
- Average molar mass
- 387.3 g/mol
- Monoisotopic mass
- 386.1276314
Names & identifiers
- Preferred name
- Pyrimidine, 2-(4-(2,4-dimethoxybenzyl)-1-piperazinyl)-, dihydrochloride
- IUPAC
- 2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine;dihydrochloride
Names & synonyms
3829-69-4Pyrimidine, 2-(4-(2,4-dimethoxybenzyl)-1-piperazinyl)-, dihydrochloride2-(4-(2,4-Dimethoxybenzyl)-1-piperazinyl)pyrimidine dihydrochlorideDTXSID601916652-[4-(2,4-Dimethoxybenzyl)-1-piperazinyl]pyrimidine dihydrochlorideRefChem:377509DTXCID001141562-{4-[(2,4-Dimethoxyphenyl)methyl]piperazin-1-yl}pyrimidine--hydrogen chloride (1/2)
Database identifiers
- CAS
3829-69-4- PubChem CID
- 199199
- DTXSID
DTXSID60191665
Properties
Computed structural properties
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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