| CAS Number | 856976-05-1 |
| Catalog Number | AG01EL8M |
| Chemical Name | 6-chloro-N-(4-chlorophenyl)-2-methylpyrimidin-4-amine |
| IUPAC Name | 6-chloro-N-(4-chlorophenyl)-2-methylpyrimidin-4-amine |
| InChI | InChI=1S/C11H9Cl2N3/c1-7-14-10(13)6-11(15-7)16-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,14,15,16) |
| InChI Key | SKJSMUSOJGBEPN-UHFFFAOYSA-N |
| MDL Number | MFCD16777689 |
| Molecular Formula | C11H9Cl2N3 |
| Molecular Weight | 254.1153 |
| SMILES | CC1=NC(NC2=CC=C(Cl)C=C2)=CC(Cl)=N1 |
| Synonyms | ZINC52835657,
AKOS011770395,
6-chloro-N-(4-chlorophenyl)-2-methylpyrimidin-4-amine,
856976-05-1,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.114g/mol |
| Monoisotopic Mass | 253.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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