| CAS Number | 892491-98-4 |
| Catalog Number | AG01AV58(AGN-PC-0WOBNX) |
| Chemical Name | Tert-Butyl 4-(5-Aminopyrimidin-2-Yl)Piperazine-1-Carboxylate |
| IUPAC Name | tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7,14H2,1-3H3 |
| InChI Key | UOFXCDLVMBOPFE-UHFFFAOYSA-N |
| MDL Number | MFCD24470818 |
| Molecular Formula | C13H21N5O2 |
| Molecular Weight | 279.3381 |
| SMILES | O=C(N1CCN(C2=NC=C(N)C=N2)CC1)OC(C)(C)C |
| Synonyms | tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate,
892491-98-4,
SCHEMBL594427,
UOFXCDLVMBOPFE-UHFFFAOYSA-N,
ZINC95942579,
AKOS022983842,
MCULE-3798306175,
NE33109,
Z1800620552,
4-(5-amino-pyrimidin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.344g/mol |
| Monoisotopic Mass | 279.17g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number