| CAS Number | 1256627-71-0 |
| Catalog Number | AG00HIDA(AGN-PC-0WC7SO) |
| Chemical Name | ethyl 2-[(4-chlorophenyl)amino]-4-methylpyrimidine-5-carboxylate |
| IUPAC Name | ethyl 2-(4-chloroanilino)-4-methylpyrimidine-5-carboxylate |
| InChI | InChI=1S/C14H14ClN3O2/c1-3-20-13(19)12-8-16-14(17-9(12)2)18-11-6-4-10(15)5-7-11/h4-8H,3H2,1-2H3,(H,16,17,18) |
| InChI Key | MVTUIVLRWDMZJU-UHFFFAOYSA-N |
| MDL Number | MFCD19103602 |
| Molecular Formula | C14H14ClN3O2 |
| Molecular Weight | 291.7329 |
| SMILES | CCOC(=O)c1cnc(nc1C)Nc1ccc(cc1)Cl |
| Synonyms | ethyl 2-[(4-chlorophenyl)amino]-4-methylpyrimidine-5-carboxylate,
1256627-71-0,
Ethyl 2-((4-chlorophenyl)amino)-4-methylpyrimidine-5-carboxylate,
ALBB-017267,
ZX-AN015955,
MFCD19103602,
SBB083338,
STL389384,
ZINC64864359,
AKOS005143078,
MCULE-1825446736,
Y-9557,
ethyl 2-(4-chloroanilino)-4-methyl-5-pyrimidinecarboxylate,
5-pyrimidinecarboxylic acid, 2-[(4-chlorophenyl)amino]-4-methyl-, ethyl ester,
ethyl 2-(4-chloroanilino)-4-methylpyrimidine-5-carboxylate,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.735g/mol |
| Monoisotopic Mass | 291.077g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number