| CAS Number | 1353984-21-0 |
| Catalog Number | AG009I0L(AGN-PC-0WD6K3) |
| Chemical Name | Tert-Butyl (1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl)(methyl)carbamate |
| IUPAC Name | tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylcarbamate |
| InChI | InChI=1S/C17H28N4O3/c1-6-23-15-10-14(18-12-19-15)21-9-7-8-13(11-21)20(5)16(22)24-17(2,3)4/h10,12-13H,6-9,11H2,1-5H3 |
| InChI Key | IDXIKIMRSOTNGM-UHFFFAOYSA-N |
| MDL Number | MFCD21098507 |
| Molecular Formula | C17H28N4O3 |
| Molecular Weight | 336.4292 |
| SMILES | O=C(OC(C)(C)C)N(C1CN(C2=NC=NC(OCC)=C2)CCC1)C |
| Synonyms | 1353984-21-0,
tert-Butyl (1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl)(methyl)carbamate,
[1-(6-Ethoxy-pyrimidin-4-yl)-piperidin-3-yl]-methyl-carbamic acid tert-butyl ester,
AKOS024463564,
AK160043,
AX8293261,
CS-0061664,
ST24049438,
[1-(6-Ethoxypyrimidin-4-yl)piperidin-3-yl]methylcarbamic acid tert-butyl ester,
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| Complexity | 413 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.436g/mol |
| Monoisotopic Mass | 336.216g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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