Basic information
- CAS
6961-30-4- Standard SMILES
OCCN1CCN(c2cc(Cl)nc(N3CCN(CCO)CC3)n2)CC1- InChIKey
YOBPZQKKOVTXEJ-UHFFFAOYSA-N- Molecular formula
- C16H27ClN6O2
- Average molar mass
- 370.9 g/mol
- Monoisotopic mass
- 370.1884018
Names & identifiers
- Preferred name
- 2-[4-[4-Chloro-6-[4-(2-hydroxyethyl)piperazin-1-YL]pyrimidin-2-YL]piperazin-1-YL]ethanol
- IUPAC
- 2-[4-[6-chloro-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
Names & synonyms
6961-30-42-[4-[4-CHLORO-6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PYRIMIDIN-2-YL]PIPERAZIN-1-YL]ETHANOLDTXSID40328876AG-G-711712,2'-[(6-Chloropyrimidine-2,4-diyl)di(piperazine-4,1-diyl)]di(ethan-1-ol)
Database identifiers
- CAS
6961-30-4- PubChem CID
- 414749
- DTXSID
DTXSID40328876
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…