| CAS Number | 178403-35-5 |
| Catalog Number | AG003AR8(AGN-PC-0O51QF) |
| Chemical Name | 1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(trifluoromethyl)pyridin-2-yl]urea |
| IUPAC Name | 1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(trifluoromethyl)pyridin-2-yl]urea |
| InChI | InChI=1S/C13H12F3N5O3/c1-23-8-6-9(24-2)20-12(19-8)21(11(17)22)10-7(13(14,15)16)4-3-5-18-10/h3-6H,1-2H3,(H2,17,22) |
| InChI Key | WIGINONAXQYKLJ-UHFFFAOYSA-N |
| MDL Number | MFCD32206424 |
| Molecular Formula | C13H12F3N5O3 |
| Molecular Weight | 343.2613 |
| SMILES | COC1=NC(=NC(=C1)OC)N(C(=O)N)C1=NC=CC=C1C(F)(F)F |
| Synonyms | N-(4,6-Dimethoxy-2-pyrimidinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]urea,
178403-35-5,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.266g/mol |
| Monoisotopic Mass | 343.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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