| CAS Number | 1353984-49-2 |
| Catalog Number | AG009I3N(AGN-PC-0WD6L8) |
| Chemical Name | [1-(6-Cyclopropylamino-pyrimidin-4-yl)-piperidin-3-yl]-methyl-carbamic acid tert-butyl ester |
| IUPAC Name | tert-butyl N-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate |
| InChI | InChI=1S/C18H29N5O2/c1-18(2,3)25-17(24)22(4)14-6-5-9-23(11-14)16-10-15(19-12-20-16)21-13-7-8-13/h10,12-14H,5-9,11H2,1-4H3,(H,19,20,21) |
| InChI Key | MYKXCNQSXDZLGZ-UHFFFAOYSA-N |
| MDL Number | MFCD21098626 |
| Molecular Formula | C18H29N5O2 |
| Molecular Weight | 347.4552 |
| SMILES | O=C(OC(C)(C)C)N(C1CN(C2=NC=NC(NC3CC3)=C2)CCC1)C |
| Synonyms | 1353984-49-2,
tert-Butyl (1-(6-(cyclopropylamino)pyrimidin-4-yl)piperidin-3-yl)(methyl)carbamate,
[1-(6-Cyclopropylamino-pyrimidin-4-yl)-piperidin-3-yl]-methyl-carbamic acid tert-butyl ester,
AKOS024463559,
AK160264,
AX8293434,
CS-0060897,
ST24049431,
[1-(6-Cyclopropylaminopyrimidin-4-yl)piperidin-3-yl]methylcarbamic acid tert-butyl ester,
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| Complexity | 463 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number