| CAS Number | 1956318-44-7 |
| Catalog Number | AG01DG4C |
| Chemical Name | 1-(4-((6-Chloro-2-methylpyrimidin-4-yl)amino)-3-fluorophenyl)-3-(4-fluorophenyl)urea |
| IUPAC Name | 1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-fluorophenyl]-3-(4-fluorophenyl)urea |
| InChI | InChI=1S/C18H14ClF2N5O/c1-10-22-16(19)9-17(23-10)26-15-7-6-13(8-14(15)21)25-18(27)24-12-4-2-11(20)3-5-12/h2-9H,1H3,(H,22,23,26)(H2,24,25,27) |
| InChI Key | GSXUJGIKEFUFHE-UHFFFAOYSA-N |
| MDL Number | MFCD28991962 |
| Molecular Formula | C18H14ClF2N5O |
| Molecular Weight | 389.7865 |
| SMILES | O=C(Nc1ccc(cc1)F)Nc1ccc(c(c1)F)Nc1cc(Cl)nc(n1)C |
| Synonyms | 1-(4-((6-Chloro-2-methylpyrimidin-4-yl)amino)-3-fluorophenyl)-3-(4-fluorophenyl)urea,
1956318-44-7,
MFCD28991962,
ZINC261507236,
|
| Complexity | 494 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.791g/mol |
| Monoisotopic Mass | 389.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number