| CAS Number | 1393845-81-2 |
| Catalog Number | AG00IZHD(AGN-PC-0WAZIY) |
| Chemical Name | Ethyl 2-((4-cyanophenyl)amino)pyrimidine-4-carboxylate |
| IUPAC Name | ethyl 2-(4-cyanoanilino)pyrimidine-4-carboxylate |
| InChI | InChI=1S/C14H12N4O2/c1-2-20-13(19)12-7-8-16-14(18-12)17-11-5-3-10(9-15)4-6-11/h3-8H,2H2,1H3,(H,16,17,18) |
| InChI Key | DVBYTYGANLEDTE-UHFFFAOYSA-N |
| MDL Number | MFCD22383954 |
| Molecular Formula | C14H12N4O2 |
| Molecular Weight | 268.2707 |
| SMILES | O=C(C1=NC(NC2=CC=C(C#N)C=C2)=NC=C1)OCC |
| Synonyms | ethyl 2-[(4-cyanophenyl)amino]pyrimidine-4-carboxylate,
1393845-81-2,
ZX-RL000532,
MFCD22383954,
ZINC76818170,
AKOS015996952,
FG-0719,
OR303027,
KS-00002556,
Ethyl 2-[(4-cyanophenyl)amino]-pyrimidine-4-carboxylate,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.276g/mol |
| Monoisotopic Mass | 268.096g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number