| CAS Number | 76360-92-4 |
| Catalog Number | AG00GA7B(AGN-PC-0WBOF7) |
| Chemical Name | 4-(2-Methoxyethylamino)-2-(methylthio)pyrimidine-5-carboxylic acid |
| IUPAC Name | 4-(2-methoxyethylamino)-2-methylsulfanylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C9H13N3O3S/c1-15-4-3-10-7-6(8(13)14)5-11-9(12-7)16-2/h5H,3-4H2,1-2H3,(H,13,14)(H,10,11,12) |
| InChI Key | IHDKWMIOWSKVAO-UHFFFAOYSA-N |
| MDL Number | MFCD11040498 |
| Molecular Formula | C9H13N3O3S |
| Molecular Weight | 243.2828 |
| SMILES | COCCNC1=C(C=NC(SC)=N1)C(O)=O |
| Synonyms | 4-(2-METHOXYETHYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID,
76360-92-4,
SCHEMBL11168369,
CTK7B3545,
DTXSID00509780,
5408AH,
AR3242,
MFCD11040498,
ZINC35287535,
AS-45558,
4-[(2-Methoxyethyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylic acid,
C9H13N3O3S,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.281g/mol |
| Monoisotopic Mass | 243.068g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number