| CAS Number | 1820649-64-6 |
| Catalog Number | AG00I0OK(AGN-PC-0WR47M) |
| Chemical Name | tert-Butyl N-[4-(sec-butyl)pyrimidin-5-yl]carbamate |
| IUPAC Name | tert-butyl N-(4-butan-2-ylpyrimidin-5-yl)carbamate |
| InChI | InChI=1S/C13H21N3O2/c1-6-9(2)11-10(7-14-8-15-11)16-12(17)18-13(3,4)5/h7-9H,6H2,1-5H3,(H,16,17) |
| InChI Key | LLWCEIJADTYREV-UHFFFAOYSA-N |
| MDL Number | MFCD28024850 |
| Molecular Formula | C13H21N3O2 |
| Molecular Weight | 251.3247 |
| SMILES | CCC(c1ncncc1NC(=O)OC(C)(C)C)C |
| Synonyms | TERT-BUTYL N-[4-(SEC-BUTYL)PYRIMIDIN-5-YL]CARBAMATE,
1820649-64-6,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.33g/mol |
| Monoisotopic Mass | 251.163g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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