| CAS Number | 185040-34-0 |
| Catalog Number | AG0074MS(AGN-PC-0N70U3) |
| Chemical Name | 5-Pyrimidinemethanol, 4-(ethylamino)-2-(methylthio)- |
| IUPAC Name | [4-(ethylamino)-2-methylsulfanylpyrimidin-5-yl]methanol |
| InChI | InChI=1S/C8H13N3OS/c1-3-9-7-6(5-12)4-10-8(11-7)13-2/h4,12H,3,5H2,1-2H3,(H,9,10,11) |
| InChI Key | QCDOUHFYODXAQJ-UHFFFAOYSA-N |
| MDL Number | MFCD12911521 |
| Molecular Formula | C8H13N3OS |
| Molecular Weight | 199.2733 |
| SMILES | CCNc1nc(SC)ncc1CO |
| Synonyms | 185040-34-0,
(4-(ethylamino)-2-(methylthio)pyrimidin-5-yl)methanol,
4-ethylamino-2-methylthio-5-pyrimidinemethanol,
5-Pyrimidinemethanol, 4-(ethylamino)-2-(methylthio)-,
SCHEMBL1521623,
(4-Ethylamino-2-methylsulfanyl-pyrimidin-5-yl)-methanol,
CTK0E2397,
DTXSID90442071,
QCDOUHFYODXAQJ-UHFFFAOYSA-N,
MFCD12911521,
ZINC39039378,
AKOS030557085,
CS-0062077,
FT-0720759,
CID10584149,
4-(ethylamino)-2-(methylthio)-5-Pyrimidinemethanol,
(4-ethylamino-2-methylsulfanyl-pyrimidin-5-yl)methanol,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.272g/mol |
| Monoisotopic Mass | 199.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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