4-Amino-2-(methylthio)pyrimidine-5-carboxylic Acid - CAS 771-81-3
Catalog: |
BB035851 |
Product Name: |
4-Amino-2-(methylthio)pyrimidine-5-carboxylic Acid |
CAS: |
771-81-3 |
Synonyms: |
4-amino-2-(methylthio)-5-pyrimidinecarboxylic acid; 4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid |
IUPAC Name: | 4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid |
Description: | 4-Amino-2-(methylthio)pyrimidine-5-carboxylic Acid (CAS# 771-81-3) is a useful research chemical. |
Molecular Weight: | 185.20 |
Molecular Formula: | C6H7N3O2S |
Canonical SMILES: | CSC1=NC=C(C(=N1)N)C(=O)O |
InChI: | InChI=1S/C6H7N3O2S/c1-12-6-8-2-3(5(10)11)4(7)9-6/h2H,1H3,(H,10,11)(H2,7,8,9) |
InChI Key: | AOBVZYNKWONVRH-UHFFFAOYSA-N |
LogP: | 1.06010 |
Publication Number | Title | Priority Date |
AU-2018340475-A1 | PDE9 inhibitor and use thereof | 20170928 |
CA-3077134-A1 | Pde9 inhibitor and use thereof | 20170928 |
CN-109575016-A | PDE9 inhibitor and application thereof | 20170928 |
KR-20200065013-A | PDE9 inhibitors and uses thereof | 20170928 |
TW-201915001-A | PDE9 inhibitor and its use | 20170928 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.02589765 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.02589765 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 114 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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