Basic information
- CAS
3601-84-1- Standard SMILES
CC1CN(Cc2ccc3c(c2)OCO3)CCN1c1ncccn1.Cl.Cl- InChIKey
ITNIRIUPPMIZHM-UHFFFAOYSA-N- Molecular formula
- C17H22Cl2N4O2
- Average molar mass
- 385.3 g/mol
- Monoisotopic mass
- 384.1119813
Names & identifiers
- Preferred name
- Pyrimidine, 2-(2-methyl-4-piperonyl-1-piperazinyl)-, dihydrochloride
- IUPAC
- 2-[4-(1,3-benzodioxol-5-ylmethyl)-2-methylpiperazin-1-yl]pyrimidine;dihydrochloride
Names & synonyms
2-(2-Methyl-4-piperonyl-1-piperazinyl)pyrimidine dihydrochloride3601-84-1Pyrimidine, 2-(2-methyl-4-piperonyl-1-piperazinyl)-, dihydrochlorideRefChem:377501DTXSID109574302-[4-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-1-piperazinyl]pyrimidine dihydrochloride2-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]-2-methylpiperazin-1-yl}pyrimidine--hydrogen chloride (1/2)
Database identifiers
- CAS
3601-84-1- PubChem CID
- 198992
- DTXSID
DTXSID10957430
Properties
Computed structural properties
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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