| CAS Number | 1353977-36-2 |
| Catalog Number | AG009IAK(AGN-PC-0H0Y2X) |
| Chemical Name | 1-(6-Ethoxy-2-methylsulfanyl-pyrimidin-4-yl)-piperidin-4-ol |
| IUPAC Name | 1-(6-ethoxy-2-methylsulfanylpyrimidin-4-yl)piperidin-4-ol |
| InChI | InChI=1S/C12H19N3O2S/c1-3-17-11-8-10(13-12(14-11)18-2)15-6-4-9(16)5-7-15/h8-9,16H,3-7H2,1-2H3 |
| InChI Key | PXAKUYZIBYPITD-UHFFFAOYSA-N |
| MDL Number | MFCD21098640 |
| Molecular Formula | C12H19N3O2S |
| Molecular Weight | 269.3632 |
| SMILES | OC1CCN(C2=NC(SC)=NC(OCC)=C2)CC1 |
| Synonyms | 1353977-36-2,
1-(6-Ethoxy-2-(methylthio)pyrimidin-4-yl)piperidin-4-ol,
1-(6-Ethoxy-2-methylsulfanyl-pyrimidin-4-yl)-piperidin-4-ol,
1-(6-Ethoxy-2-methylsulfanylpyrimidin-4-yl)piperidin-4-ol,
ZINC79439241,
AKOS024463470,
AK160213,
AJ-123419,
AX8293397,
CS-0061659,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.363g/mol |
| Monoisotopic Mass | 269.12g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number