| CAS Number | 1065074-31-8 |
| Catalog Number | AG007UNR(AGN-PC-0WAD1T) |
| Chemical Name | Ethyl 2-(4-(t-BOC)piperazin-1-yl)-4-hydroxypyrimidine-5-carboxylate |
| IUPAC Name | ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-oxo-1H-pyrimidine-5-carboxylate |
| InChI | InChI=1S/C16H24N4O5/c1-5-24-13(22)11-10-17-14(18-12(11)21)19-6-8-20(9-7-19)15(23)25-16(2,3)4/h10H,5-9H2,1-4H3,(H,17,18,21) |
| InChI Key | QKKFACJXVJWDAL-UHFFFAOYSA-N |
| MDL Number | MFCD11504885 |
| Molecular Formula | C16H24N4O5 |
| Molecular Weight | 352.3856 |
| SMILES | O=C(C1=CN=C(N2CCN(C(OC(C)(C)C)=O)CC2)N=C1O)OCC |
| Synonyms | 1065074-31-8,
Ethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4-hydroxypyrimidine-5-carboxylate,
Ethyl 2-(4-(t-BOC)piperazin-1-yl)-4-hydroxypyrimidine-5-carboxylate,
CTK8B3313,
DTXSID70674732,
ANW-42259,
ANW-53460,
MFCD11504885,
ZINC38537184,
AKOS015892575,
AJ-95949,
AX8230613,
ST2406874,
TC-142205,
Z6870,
A-4381,
I03-746,
Ethyl 2-[4-(tert-butoxycarbonyl)piperazin-1-yl]-6-oxo-1,6-dihydropyrimidine-5-carboxylate,
C16H24N4O5,
Ethyl2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4-hydroxypyrimidine-5-carboxylate,
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| Complexity | 613 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.175g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.391g/mol |
| Monoisotopic Mass | 352.175g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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