4-Amino-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic Acid - CAS 923737-07-9
Catalog: |
BB054926 |
Product Name: |
4-Amino-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic Acid |
CAS: |
923737-07-9 |
Synonyms: |
4-amino-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid; 4-Imino-2,5-dimethyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid; 4-imino-2,5-dimethyl-1H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid |
IUPAC Name: | 4-amino-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid |
Molecular Weight: | 223.25 |
Molecular Formula: | C9H9N3O2S |
Canonical SMILES: | CC1=C(SC2=NC(=NC(=C12)N)C)C(=O)O |
InChI: | InChI=1S/C9H9N3O2S/c1-3-5-7(10)11-4(2)12-8(5)15-6(3)9(13)14/h1-2H3,(H,13,14)(H2,10,11,12) |
InChI Key: | NUNLMHVODYNYSB-UHFFFAOYSA-N |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.04154771 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.04154771 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 117Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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