| CAS Number | 1353980-15-0 |
| Catalog Number | AG009HZQ(AGN-PC-0H0Y2C) |
| Chemical Name | [1-(6-Cyclopropylamino-pyrimidin-4-yl)-piperidin-4-yl]-methyl-carbamic acid tert-butyl ester |
| IUPAC Name | tert-butyl N-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate |
| InChI | InChI=1S/C18H29N5O2/c1-18(2,3)25-17(24)22(4)14-7-9-23(10-8-14)16-11-15(19-12-20-16)21-13-5-6-13/h11-14H,5-10H2,1-4H3,(H,19,20,21) |
| InChI Key | KWYNPWMVOWKZCV-UHFFFAOYSA-N |
| MDL Number | MFCD21098624 |
| Molecular Formula | C18H29N5O2 |
| Molecular Weight | 347.4552 |
| SMILES | O=C(OC(C)(C)C)N(C1CCN(C2=NC=NC(NC3CC3)=C2)CC1)C |
| Synonyms | 1353980-15-0,
tert-Butyl (1-(6-(cyclopropylamino)pyrimidin-4-yl)piperidin-4-yl)(methyl)carbamate,
[1-(6-Cyclopropylamino-pyrimidin-4-yl)-piperidin-4-yl]-methyl-carbamic acid tert-butyl ester,
ZINC79439175,
AKOS024463547,
AK160244,
AJ-123397,
AX8293420,
CS-0060899,
ST24049429,
[1-(6-Cyclopropylaminopyrimidin-4-yl)piperidin-4-yl]methylcarbamic 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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