| CAS Number | 780705-64-8 |
| Catalog Number | AG00ICWZ(AGN-PC-0WOJAH) |
| Chemical Name | 2-Methyl-2-propanyl 4-(2-pyrimidinyl)-1-piperazinecarboxylate |
| IUPAC Name | tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate |
| InChI | InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-9-7-16(8-10-17)11-14-5-4-6-15-11/h4-6H,7-10H2,1-3H3 |
| InChI Key | YEEDHQBGXCVRDP-UHFFFAOYSA-N |
| MDL Number | MFCD12068359 |
| Molecular Formula | C13H20N4O2 |
| Molecular Weight | 264.3235 |
| SMILES | N1=C(N=CC=C1)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1-N-Boc-4-Pyrimidin-2-yl-piperazine,
780705-64-8,
tert-Butyl 4-(pyrimidin-2-yl)piperazine-1-carboxylate,
SCHEMBL12964579,
DTXSID60475013,
YEEDHQBGXCVRDP-UHFFFAOYSA-N,
MFCD12068359,
ZINC44137219,
AKOS009103791,
AS-31395,
A-2326,
tert-Butyl 4-(2-pyrimidinyl)-1-piperazine carboxylate,
tert-butyl 4-(2-pyrimidinyl)-1-piperazinecarboxylate,
4-pyrimidin-2-yl-piperazine-1-carboxylic acid tert-butyl ester,
4-pyrimidin-2-ylpiperazine-1-carboxylic acid tert-butyl ester,
CID11975637,
Tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.329g/mol |
| Monoisotopic Mass | 264.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number