1-[2-Fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione - CAS 830346-47-9
Catalog: |
BB036957 |
Product Name: |
1-[2-Fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione |
CAS: |
830346-47-9 |
Synonyms: |
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione; 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione |
IUPAC Name: | 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione |
Description: | 1-[2-Fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione (CAS# 830346-47-9) is a useful research chemical compound. |
Molecular Weight: | 302.22 |
Molecular Formula: | C13H10F4N2O2 |
Canonical SMILES: | CC1=CC(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F |
InChI: | InChI=1S/C13H10F4N2O2/c1-7-5-11(20)18-12(21)19(7)6-8-9(13(15,16)17)3-2-4-10(8)14/h2-5H,6H2,1H3,(H,18,20,21) |
InChI Key: | IJRKKZXPXBTHER-UHFFFAOYSA-N |
Density: | 1.413 g/cm3 |
LogP: | 2.46350 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111333587-A | Substituted pyrimidine-2, 4(1H,3H) -dione derivatives and uses thereof | 20200411 |
CN-113125575-A | Quantitative analysis method of 1- (2-fluoro-6- (trifluoromethyl) benzyl) -6-methylpyrimidine-diketone | 20191231 |
WO-2021130776-A1 | An improved process for the preparation of 4-({(1 r)-2-[5-(2-fluoro-3methoxyphenyl)-3-{[2-fluoro-6-(trifluoro methyl) phenyl]methyl}-4-methyl-2,6-dioxo-3,6dihydropyrimidin-1(2 h)-yl]-1-phenylethyl}amino)butanoic acid or its pharmaceutically acceptable salts | 20191227 |
CN-110938038-A | Preparation process of C13H10F4N2O2 | 20191114 |
WO-2021083554-A1 | 3-((r)-2-(amino-2-phenylethyl)-1-(2-fluoro-6-trifluoromethyl benzyl)-5-iodo-6-methyl-1h-pyrimidine-2,4-dione or a salt thereof, process for its preparation, and its use in the synthesis of elagolix | 20191030 |
Complexity: | 475 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.06784021 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.06784021 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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