| CAS Number | 2031260-98-5 |
| Catalog Number | AG01B3YW |
| Chemical Name | tert-butyl N-{[2-(aminomethyl)-6-hydroxypyrimidin-4-yl]methyl}carbamate |
| IUPAC Name | tert-butyl N-[[2-(aminomethyl)-6-oxo-1H-pyrimidin-4-yl]methyl]carbamate |
| InChI | InChI=1S/C11H18N4O3/c1-11(2,3)18-10(17)13-6-7-4-9(16)15-8(5-12)14-7/h4H,5-6,12H2,1-3H3,(H,13,17)(H,14,15,16) |
| InChI Key | XAQWWROALKDYIZ-UHFFFAOYSA-N |
| MDL Number | MFCD30344882 |
| Molecular Formula | C11H18N4O3 |
| Molecular Weight | 254.2856 |
| SMILES | CC(OC(NCC1=NC(CN)=NC(O)=C1)=O)(C)C |
| Synonyms | tert-butyl N-{[2-(aminomethyl)-6-hydroxypyrimidin-4-yl]methyl}carbamate,
2031260-98-5,
ZINC521398963,
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.29g/mol |
| Monoisotopic Mass | 254.138g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
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Certificate of Analysis
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