| CAS Number | 1089724-08-2 |
| Catalog Number | AG019ENY |
| Chemical Name | 4-(ethylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylic acid |
| IUPAC Name | 4-(ethylamino)-2-methylsulfanylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C8H11N3O2S/c1-3-9-6-5(7(12)13)4-10-8(11-6)14-2/h4H,3H2,1-2H3,(H,12,13)(H,9,10,11) |
| InChI Key | UTWUINCSWMKVEY-UHFFFAOYSA-N |
| MDL Number | MFCD12911522 |
| Molecular Formula | C8H11N3O2S |
| Molecular Weight | 213.2568 |
| SMILES | C(C)NC1=NC(=NC=C1C(=O)O)SC |
| Synonyms | 1089724-08-2,
4-(ethylamino)-2-(methylthio)pyrimidine-5-carboxylic acid,
4-ethylamino-2-methylthiopyrimidine-5-carboxylic acid,
4-(ethylamino)-2-(methylthio)-5-Pyrimidinecarboxylic acid,
SCHEMBL2225998,
CTK6F2250,
UTWUINCSWMKVEY-UHFFFAOYSA-N,
MFCD12911522,
ZINC118355925,
CS-0062076,
FT-0734703,
4-Ethylamino-2-methylthio 5-pyrimidinecarboxylic acid,
4-ethylamino-2-methylthio-5-pyrimidinecarboxylic acid,
4-ETHYLAMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.255g/mol |
| Monoisotopic Mass | 213.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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