| CAS Number | 930395-93-0 |
| Catalog Number | AG019KN7(AGN-PC-0WOTNH) |
| Chemical Name | 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid |
| IUPAC Name | 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid |
| InChI | InChI=1S/C9H9N3O2S/c1-3-5-6(10)7(9(13)14)15-8(5)12-4(2)11-3/h10H2,1-2H3,(H,13,14) |
| InChI Key | YJCJUTDJTHKSJL-UHFFFAOYSA-N |
| MDL Number | MFCD03051576 |
| Molecular Formula | C9H9N3O2S |
| Molecular Weight | 223.2517 |
| SMILES | CC1=NC2=C(C(=C(C(O)=O)S2)N)C(C)=N1 |
| Synonyms | 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid,
930395-93-0,
AC1Q2P5V,
CTK6C3997,
ZINC12505576,
AKOS000117955,
MCULE-5292949639,
NE22281,
EN300-27587,
Z235345049,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.25g/mol |
| Monoisotopic Mass | 223.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number