| CAS Number | 1353944-71-4 |
| Catalog Number | AG009I36(AGN-PC-0H0Y3V) |
| Chemical Name | tert-Butyl ((1-(6-(cyclopropylamino)pyrimidin-4-yl)piperidin-2-yl)methyl)carbamate |
| IUPAC Name | tert-butyl N-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-2-yl]methyl]carbamate |
| InChI | InChI=1S/C18H29N5O2/c1-18(2,3)25-17(24)19-11-14-6-4-5-9-23(14)16-10-15(20-12-21-16)22-13-7-8-13/h10,12-14H,4-9,11H2,1-3H3,(H,19,24)(H,20,21,22) |
| InChI Key | KQNVIWQSGBRMLC-UHFFFAOYSA-N |
| MDL Number | MFCD21098676 |
| Molecular Formula | C18H29N5O2 |
| Molecular Weight | 347.4552 |
| SMILES | CC(C)(C)OC(=O)NCC1CCCCN1c1cc(NC2CC2)ncn1 |
| Synonyms | 1353944-71-4,
tert-Butyl ((1-(6-(cyclopropylamino)pyrimidin-4-yl)piperidin-2-yl)methyl)carbamate,
[1-(6-Cyclopropylamino-pyrimidin-4-yl)-piperidin-2-ylmethyl]-carbamic acid tert-butyl ester,
AKOS024463214,
AK160643,
AX8293747,
CS-0061009,
ST24049352,
[1-(6-Cyclopropylaminopyrimidin-4-yl)piperidin-2-ylmethyl]carbamic 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 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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