| CAS Number | 329268-83-9 |
| Catalog Number | AG019UCV(AGN-PC-0WO3DV) |
| Chemical Name | 5-Chloro-2-(diethylamino)pyrimidine-4-carboxylic acid |
| IUPAC Name | 5-chloro-2-(diethylamino)pyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C9H12ClN3O2/c1-3-13(4-2)9-11-5-6(10)7(12-9)8(14)15/h5H,3-4H2,1-2H3,(H,14,15) |
| InChI Key | NVKLOSGIRBPOMJ-UHFFFAOYSA-N |
| MDL Number | MFCD02709788 |
| Molecular Formula | C9H12ClN3O2 |
| Molecular Weight | 229.6635 |
| SMILES | CCN(C1=NC(C(O)=O)=C(Cl)C=N1)CC |
| Synonyms | 5-chloro-2-(diethylamino)pyrimidine-4-carboxylic acid,
329268-83-9,
HMS2497K04,
ZINC3175688,
AKOS008965787,
MCULE-6218411127,
NE52537,
EN300-41278,
2-(Diethylamino)-5-chloropyrimidine-4-carboxylic acid,
Z56779713,
CID2312493,
SMR000060448,
Oprea1_827100,
MLS000055690,
AC1M4P48,
AC1Q2Z63,
CHEMBL1457223,
CTK6E7711,
REGID_for_CID_2312493,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.664g/mol |
| Monoisotopic Mass | 229.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number