Basic information
- CAS
30194-66-2- Standard SMILES
Nc1ccc(C(=O)NCCN2CCN(c3ncccn3)CC2)cc1- InChIKey
ISMLXGXTIPBZGO-UHFFFAOYSA-N- Molecular formula
- C17H22N6O
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.18550935
Names & identifiers
- Preferred name
- Benzamide, 4-amino-N-(2-(4-(2-pyrimidinyl)-1-piperazinyl)ethyl)-
- IUPAC
- 4-amino-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
Names & synonyms
BRN 0935919BENZAMIDE, 4-AMINO-N-(2-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)ETHYL)-30194-66-24-Amino-N-(2-(4-(2-pyrimidinyl)-1-piperazinyl)ethyl)benzamideDTXSID501842685-25-10-00059 (Beilstein Handbook Reference)RefChem:321680DTXCID601067594-amino-N-{2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}benzamide
Database identifiers
- CAS
30194-66-2- PubChem CID
- 34845
- DTXSID
DTXSID50184268
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…