| CAS Number | 1398511-11-9 |
| Catalog Number | AG01DW09 |
| Chemical Name | Tert-butyl 4-(2-aminopyrimidin-4-yl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-aminopyrimidin-4-yl)piperidine-1-carboxylate |
| InChI | InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-5-10(6-9-18)11-4-7-16-12(15)17-11/h4,7,10H,5-6,8-9H2,1-3H3,(H2,15,16,17) |
| InChI Key | WEAPHICDCMOXFK-UHFFFAOYSA-N |
| MDL Number | MFCD22683521 |
| Molecular Formula | C14H22N4O2 |
| Molecular Weight | 278.3501 |
| SMILES | CC(OC(N1CCC(C2=NC(N)=NC=C2)CC1)=O)(C)C |
| Synonyms | tert-butyl 4-(2-aminopyrimidin-4-yl)piperidine-1-carboxylate,
1398511-11-9,
SCHEMBL15939961,
AKOS034181057,
FT-0734444,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.356g/mol |
| Monoisotopic Mass | 278.174g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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