5-Aminopyrimidin-4-ol Hydrochloride - CAS 106913-64-8
Catalog: |
BB001948 |
Product Name: |
5-Aminopyrimidin-4-ol Hydrochloride |
CAS: |
106913-64-8 |
Synonyms: |
5-amino-1H-pyrimidin-6-one;hydrochloride; 5-amino-1H-pyrimidin-6-one;hydrochloride |
IUPAC Name: | 5-amino-1H-pyrimidin-6-one;hydrochloride |
Description: | 5-Aminopyrimidin-4-ol Hydrochloride (CAS# 106913-64-8) is a salt form of 5-Aminopyrimidin-4-ol (A617155), which is a versatile reactant used in the synthesis of thrombin inhibitors using analogs of MD805. |
Molecular Weight: | 147.56 |
Molecular Formula: | C4H6ClN3O |
Canonical SMILES: | C1=C(C(=O)NC=N1)N.Cl |
InChI: | InChI=1S/C4H5N3O.ClH/c5-3-1-6-2-7-4(3)8;/h1-2H,5H2,(H,6,7,8);1H |
InChI Key: | QNHQWEPCQNAAPX-UHFFFAOYSA-N |
LogP: | 1.14760 |
Publication Number | Title | Priority Date |
AU-2012328199-A1 | Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies | 20111028 |
CA-2849977-A1 | Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies | 20111028 |
ES-2550983-T3 | Di-substituted compounds of diamino-3,4-cyclobutene-3-dione-1,2 useful in the treatment of chemokine-mediated pathologies | 20111028 |
FR-2981934-A1 | Novel di-substituted diamino-3,4-cyclobutene-3-dione-1,2 compounds useful in the treatment of chemokine mediated pathologies. | 20111028 |
JP-2014530895-A | Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated lesions | 20111028 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.0199395 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.0199395 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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