4-Amino-6-chloro-5-nitropyrimidine - CAS 4316-94-3
Catalog: |
BB025347 |
Product Name: |
4-Amino-6-chloro-5-nitropyrimidine |
CAS: |
4316-94-3 |
Synonyms: |
6-chloro-5-nitro-4-pyrimidinamine; 6-chloro-5-nitropyrimidin-4-amine |
IUPAC Name: | 6-chloro-5-nitropyrimidin-4-amine |
Description: | 4-Amino-6-chloro-5-nitropyrimidine (CAS# 4316-94-3) is a substituted pyrimidine with antifungal properties. |
Molecular Weight: | 174.55 |
Molecular Formula: | C4H3ClN4O2 |
Canonical SMILES: | C1=NC(=C(C(=N1)Cl)[N+](=O)[O-])N |
InChI: | InChI=1S/C4H3ClN4O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H,(H2,6,7,8) |
InChI Key: | BWLOHIMQWHFSQF-UHFFFAOYSA-N |
Boiling Point: | 394.7 °C at 760 mmHg |
Density: | 1.712 g/cm3 |
MDL: | MFCD00127772 |
LogP: | 1.72480 |
Publication Number | Title | Priority Date |
WO-2021013712-A1 | Polyaromatic urea derivatives and their use in the treatment of muscle diseases | 20190719 |
JP-2020508326-A | Inhibitors of Bruton's tyrosine kinase | 20170224 |
EP-3353157-A1 | Far superior oxidation catalysts based on macrocyclic compounds | 20150925 |
WO-2017053564-A1 | Far superior oxidation catalysts based on macrocyclic compounds | 20150925 |
AU-2015214328-A1 | Quinolone derivatives as Fibroblast Growth Factor Receptor Inhibitors | 20140207 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.994453 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.994453 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 97.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Amines and Anilines
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