| CAS Number | 1417193-47-5 |
| Catalog Number | AG01DUCS |
| Chemical Name | Pyrimidine, 2-(4-ethyl-1-piperazinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
| IUPAC Name | 2-(4-ethylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine |
| InChI | InChI=1S/C16H27BN4O2/c1-6-20-7-9-21(10-8-20)14-18-11-13(12-19-14)17-22-15(2,3)16(4,5)23-17/h11-12H,6-10H2,1-5H3 |
| InChI Key | ZPAKYZRNRKHTBB-UHFFFAOYSA-N |
| MDL Number | MFCD18762234 |
| Molecular Formula | C16H27BN4O2 |
| Molecular Weight | 318.2222 |
| SMILES | CC1(C)OB(OC1(C)C)c1cnc(nc1)N1CCN(CC1)CC |
| Synonyms | 1417193-47-5,
AS-55435,
2-(4-ethylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine,
Pyrimidine, 2-(4-ethyl-1-piperazinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,
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| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.223g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.228g/mol |
| Monoisotopic Mass | 318.223g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number