| CAS Number | 1016694-81-7 |
| Catalog Number | AG019MT2 |
| Chemical Name | 2-(4-aminophenyl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one |
| IUPAC Name | 2-(4-aminophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone |
| InChI | InChI=1S/C16H19N5O/c17-14-4-2-13(3-5-14)12-15(22)20-8-10-21(11-9-20)16-18-6-1-7-19-16/h1-7H,8-12,17H2 |
| InChI Key | FQEOLYAJAKNZIC-UHFFFAOYSA-N |
| MDL Number | MFCD09816665 |
| Molecular Formula | C16H19N5O |
| Molecular Weight | 297.3550 |
| SMILES | NC1=CC=C(CC(N2CCN(C3=NC=CC=N3)CC2)=O)C=C1 |
| Synonyms | 2-(4-aminophenyl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one,
1016694-81-7,
4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]aniline,
AC1Q51Z2,
CTK7G3394,
ZINC20185735,
AKOS000148906,
MCULE-7626779130,
NE19765,
EN300-37188,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.362g/mol |
| Monoisotopic Mass | 297.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number