| CAS Number | 14160-95-3 |
| Catalog Number | AG019T4K(AGN-PC-0WO67F) |
| Chemical Name | 4-Chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde |
| IUPAC Name | 4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde |
| InChI | InChI=1S/C7H8ClN3O/c1-11(2)7-5(3-12)6(8)9-4-10-7/h3-4H,1-2H3 |
| InChI Key | RDLBBVSSNBKZOB-UHFFFAOYSA-N |
| MDL Number | MFCD14740903 |
| Molecular Formula | C7H8ClN3O |
| Molecular Weight | 185.6109 |
| SMILES | CN(C1=C(C=O)C(Cl)=NC=N1)C |
| Synonyms | 4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde,
14160-95-3,
AC1MPKFJ,
5-Pyrimidinecarboxaldehyde, 4-chloro-6-(dimethylamino)-,
ZINC250376,
AKOS001812538,
MCULE-7043149060,
NE18636,
CID3436703,
4-chloro-6-dimethylamino-pyrimidine-5-carbaldehyde,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.611g/mol |
| Monoisotopic Mass | 185.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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