| CAS Number | 1353955-17-5 |
| Catalog Number | AG009I50(AGN-PC-0WD6ME) |
| Chemical Name | 6-Ethoxy-N-methyl-N-(piperidin-3-yl)pyrimidin-4-amine hydrochloride |
| IUPAC Name | 6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine;hydrochloride |
| InChI | InChI=1S/C12H20N4O.ClH/c1-3-17-12-7-11(14-9-15-12)16(2)10-5-4-6-13-8-10;/h7,9-10,13H,3-6,8H2,1-2H3;1H |
| InChI Key | IJADJMZHOXXZNX-UHFFFAOYSA-N |
| MDL Number | MFCD21098549 |
| Molecular Formula | C12H21ClN4O |
| Molecular Weight | 272.7743 |
| SMILES | Cl.O(CC)C1C=C(N=CN=1)N(C)C1CCCNC1 |
| Synonyms | 1353955-17-5,
6-Ethoxy-N-methyl-N-(piperidin-3-yl)pyrimidin-4-amine hydrochloride,
(6-Ethoxy-pyrimidin-4-yl)-methyl-piperidin-3-yl-amine hydrochloride,
AKOS024463926,
AK160589,
CS-0061661,
ST24045347,
(6-Ethoxypyrimidin-4-yl)methylpiperidin-3-ylamine hydrochloride,
6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine;hydrochloride,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.777g/mol |
| Monoisotopic Mass | 272.14g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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