| CAS Number | 1353989-88-4 |
| Catalog Number | AG009I9C(AGN-PC-0WD6LA) |
| Chemical Name | 3-[(6-Cyclopropylamino-pyrimidin-4-ylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 3-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C18H29N5O2/c1-18(2,3)25-17(24)23-8-4-5-13(11-23)10-19-15-9-16(21-12-20-15)22-14-6-7-14/h9,12-14H,4-8,10-11H2,1-3H3,(H2,19,20,21,22) |
| InChI Key | QASQIZRAYCXBTM-UHFFFAOYSA-N |
| MDL Number | MFCD21098682 |
| Molecular Formula | C18H29N5O2 |
| Molecular Weight | 347.4552 |
| SMILES | C1(CC1)NC1=CC(=NC=N1)NCC1CN(CCC1)C(=O)OC(C)(C)C |
| Synonyms | 1353989-88-4,
tert-Butyl 3-(((6-(cyclopropylamino)pyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate,
3-[(6-Cyclopropylamino-pyrimidin-4-ylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester,
AKOS024463076,
AK160274,
AX8293442,
CS-0060937,
ST24049718,
3-[(6-Cyclopropylaminopyrimidin-4-ylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester,
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| Complexity | 449 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.463g/mol |
| Monoisotopic Mass | 347.232g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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