| CAS Number | 1353974-36-3 |
| Catalog Number | AG009I0B(AGN-PC-0WD6MT) |
| Chemical Name | 4-[(6-Cyclopropylamino-pyrimidin-4-yl)-methyl-amino]-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 4-[[6-(cyclopropylamino)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate |
| InChI | InChI=1S/C18H29N5O2/c1-18(2,3)25-17(24)23-9-7-14(8-10-23)22(4)16-11-15(19-12-20-16)21-13-5-6-13/h11-14H,5-10H2,1-4H3,(H,19,20,21) |
| InChI Key | QTUVXWGTONGJEK-UHFFFAOYSA-N |
| MDL Number | MFCD21098675 |
| Molecular Formula | C18H29N5O2 |
| Molecular Weight | 347.4552 |
| SMILES | C1(CC1)NC1=CC(=NC=N1)N(C1CCN(CC1)C(=O)OC(C)(C)C)C |
| Synonyms | 1353974-36-3,
tert-Butyl 4-((6-(cyclopropylamino)pyrimidin-4-yl)(methyl)amino)piperidine-1-carboxylate,
4-[(6-Cyclopropylamino-pyrimidin-4-yl)-methyl-amino]-piperidine-1-carboxylic acid tert-butyl ester,
ZINC79439382,
AKOS024463538,
AK160642,
AJ-123459,
AX8293746,
CS-0060930,
ST24049881,
4-[(6-Cyclopropylaminopyrimidin-4-yl)methylamino]piperidine-1-carboxylic acid tert-butyl ester,
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| Complexity | 455 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.232g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.463g/mol |
| Monoisotopic Mass | 347.232g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 70.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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