| CAS Number | 1823776-86-8 |
| Catalog Number | AG01DTL0 |
| Chemical Name | tert-Butyl (4-(4-benzylmorpholin-2-yl)pyrimidin-5-yl)carbamate |
| IUPAC Name | tert-butyl N-[4-(4-benzylmorpholin-2-yl)pyrimidin-5-yl]carbamate |
| InChI | InChI=1S/C20H26N4O3/c1-20(2,3)27-19(25)23-16-11-21-14-22-18(16)17-13-24(9-10-26-17)12-15-7-5-4-6-8-15/h4-8,11,14,17H,9-10,12-13H2,1-3H3,(H,23,25) |
| InChI Key | BPLVADCUOQCWHM-UHFFFAOYSA-N |
| MDL Number | MFCD27997365 |
| Molecular Formula | C20H26N4O3 |
| Molecular Weight | 370.4454 |
| SMILES | O=C(OC(C)(C)C)Nc1cncnc1C1OCCN(C1)Cc1ccccc1 |
| Synonyms | Tert-Butyl (4-(4-Benzylmorpholin-2-Yl)Pyrimidin-5-Yl)Carbamate,
1823776-86-8,
|
| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 370.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.453g/mol |
| Monoisotopic Mass | 370.2g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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