4-Amino-2-(trifluoromethyl)pyrimidine - CAS 672-42-4
Catalog: |
BB033228 |
Product Name: |
4-Amino-2-(trifluoromethyl)pyrimidine |
CAS: |
672-42-4 |
Synonyms: |
2-(trifluoromethyl)-4-pyrimidinamine; 2-(trifluoromethyl)pyrimidin-4-amine |
IUPAC Name: | 2-(trifluoromethyl)pyrimidin-4-amine |
Description: | 4-Amino-2-(trifluoromethyl)pyrimidine (CAS# 672-42-4) is a useful research chemical. |
Molecular Weight: | 163.10 |
Molecular Formula: | C5H4F3N3 |
Canonical SMILES: | C1=CN=C(N=C1N)C(F)(F)F |
InChI: | InChI=1S/C5H4F3N3/c6-5(7,8)4-10-2-1-3(9)11-4/h1-2H,(H2,9,10,11) |
InChI Key: | XJHPDOAHPIXTPH-UHFFFAOYSA-N |
Boiling Point: | 155.3 °C at 760 mmHg |
Density: | 1.46 g/cm3 |
LogP: | 1.65880 |
Publication Number | Title | Priority Date |
WO-2020007938-A1 | PqsR INVERSE AGONISTS | 20180703 |
AU-2019297409-A1 | PqsR inverse agonists | 20180703 |
EP-3818045-A1 | Pqsr inverse agonists | 20180703 |
BR-112020026748-A2 | CYCLINE DEPENDENT KINASE INHIBITORS | 20180629 |
CN-110343095-A | A kind of arginine methyltransferase inhibitor and its pharmaceutical composition and purposes | 20180408 |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.03573163 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.03573163 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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