2-Chloro-6-(trifluoromethyl)pyrimidin-4-amine - CAS 85730-36-5
Catalog: |
BB037703 |
Product Name: |
2-Chloro-6-(trifluoromethyl)pyrimidin-4-amine |
CAS: |
85730-36-5 |
Synonyms: |
2-chloro-6-(trifluoromethyl)-4-pyrimidinamine; 2-chloro-6-(trifluoromethyl)pyrimidin-4-amine |
IUPAC Name: | 2-chloro-6-(trifluoromethyl)pyrimidin-4-amine |
Description: | 2-Chloro-6-(trifluoromethyl)pyrimidin-4-amine (CAS# 85730-36-5) is a useful research chemical. |
Molecular Weight: | 197.55 |
Molecular Formula: | C5H3ClF3N3 |
Canonical SMILES: | C1=C(N=C(N=C1N)Cl)C(F)(F)F |
InChI: | InChI=1S/C5H3ClF3N3/c6-4-11-2(5(7,8)9)1-3(10)12-4/h1H,(H2,10,11,12) |
InChI Key: | XPOXHSQGNDLFPT-UHFFFAOYSA-N |
Boiling Point: | 315.963 °C at 760 mmHg |
Density: | 1.598 g/cm3 |
MDL: | MFCD11558917 |
LogP: | 2.31220 |
Publication Number | Title | Priority Date |
WO-2017125506-A1 | Aryl substituted pyrimidines for use in influenza virus infection | 20160120 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.9967593 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.9967593 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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