| CAS Number | 1048913-94-5 |
| Catalog Number | AG00ISLW(AGN-PC-0WAZLN) |
| Chemical Name | 4-piperazino-2-(2-pyridinyl)-6-(trifluoro methyl)pyrimidine |
| IUPAC Name | 4-piperazin-1-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine |
| InChI | InChI=1S/C14H14F3N5/c15-14(16,17)11-9-12(22-7-5-18-6-8-22)21-13(20-11)10-3-1-2-4-19-10/h1-4,9,18H,5-8H2 |
| InChI Key | VMCUYCIJWYELCA-UHFFFAOYSA-N |
| MDL Number | MFCD11100243 |
| Molecular Formula | C14H14F3N5 |
| Molecular Weight | 309.2897 |
| SMILES | FC(F)(F)C1(=NC(=NC(=C1)N2(CCNCC2))C3(=NC=CC=C3)) |
| Synonyms | 1048913-94-5,
4-piperazino-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine,
4-(piperazin-1-yl)-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine,
4-Piperazino-2-(2-pyridinyl)-6-(trifluoromethyl)-pyrimidine,
CTK7B6556,
KS-000025FT,
ZX-RL003165,
MFCD11100243,
ZINC22995859,
AKOS005072516,
GC-0748,
RP16288,
AJ-81565,
PC200269,
piperazinopyridinyltrifluoromethylpyrimidine,
TR-064895,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.296g/mol |
| Monoisotopic Mass | 309.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number