| CAS Number | 157361-45-0 |
| Catalog Number | AG01BXRQ |
| Chemical Name | N-Butyl-2-chloro-6-methylpyrimidin-4-amine |
| IUPAC Name | N-butyl-2-chloro-6-methylpyrimidin-4-amine |
| InChI | InChI=1S/C9H14ClN3/c1-3-4-5-11-8-6-7(2)12-9(10)13-8/h6H,3-5H2,1-2H3,(H,11,12,13) |
| InChI Key | KWIGZAFWRAKRCQ-UHFFFAOYSA-N |
| MDL Number | MFCD16767277 |
| Molecular Formula | C9H14ClN3 |
| Molecular Weight | 199.6806 |
| SMILES | CCCCNC1=NC(Cl)=NC(C)=C1 |
| Synonyms | N-butyl-2-chloro-6-methylpyrimidin-4-amine,
157361-45-0,
SCHEMBL9589620,
ZINC52814249,
AKOS011764516,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.682g/mol |
| Monoisotopic Mass | 199.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number