Basic information
- CAS
3884-60-4- Standard SMILES
COc1ccc(CN2CCN(c3ncccn3)CC2)c(OC)c1OC- InChIKey
VEYRDEOFDMHLFK-UHFFFAOYSA-N- Molecular formula
- C18H24N4O3
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.18484064
Names & identifiers
- Preferred name
- Pyrimidine, 2-(4-(2,3,4-trimethoxybenzyl)-1-piperazinyl)-
- IUPAC
- 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
Names & synonyms
3884-60-4Pyrimidine, 2-(4-(2,3,4-trimethoxybenzyl)-1-piperazinyl)-BRN 09637592-(4-(2,3,4-Trimethoxybenzyl)-1-piperazinyl)pyrimidineDTXSID701921035-25-10-00061 (Beilstein Handbook Reference)2-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]pyrimidineRefChem:377508DTXCID401145942-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pyrimidineS-005262-{4-[(2,3,4-TRIMETHOXYPHENYL)METHYL]PIPERAZIN-1-YL}PYRIMIDINE
Show more names
Oprea1_190224Oprea1_486307AB00005083-01AG-690/11763317SR-01000201620SR-01000201620-1
Database identifiers
- CAS
3884-60-4- PubChem CID
- 199252
- DTXSID
DTXSID70192103- Nikkaji
- J87.020J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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