| CAS Number | 1353955-46-0 |
| Catalog Number | AG009IBN(AGN-PC-0H0Y0O) |
| Chemical Name | 4-(6-Methoxy-pyriMidin-4-ylaMino)-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxylate |
| InChI | InChI=1S/C15H24N4O3/c1-15(2,3)22-14(20)19-7-5-11(6-8-19)18-12-9-13(21-4)17-10-16-12/h9-11H,5-8H2,1-4H3,(H,16,17,18) |
| InChI Key | ATYMEUCGPYKYAR-UHFFFAOYSA-N |
| MDL Number | MFCD21098553 |
| Molecular Formula | C15H24N4O3 |
| Molecular Weight | 308.3761 |
| SMILES | O=C(N1CCC(NC2=NC=NC(OC)=C2)CC1)OC(C)(C)C |
| Synonyms | 1353955-46-0,
tert-Butyl 4-((6-methoxypyrimidin-4-yl)amino)piperidine-1-carboxylate,
4-(6-Methoxy-pyrimidin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester,
ZINC79438903,
AKOS024463720,
AK160024,
AJ-123319,
AX8293245,
CS-0060932,
ST24049898,
EN300-155056,
4-(6-Methoxypyrimidin-4-ylamino)piperidine-1-carboxylic acid tert-butyl ester,
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| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.382g/mol |
| Monoisotopic Mass | 308.185g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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