| CAS Number | 14445-57-9 |
| Catalog Number | AG00HX2S(AGN-PC-0WOA0W) |
| Chemical Name | 2,4-Dimethoxypyrimidine-5-carbonitrile |
| IUPAC Name | 2,4-dimethoxypyrimidine-5-carbonitrile |
| InChI | InChI=1S/C7H7N3O2/c1-11-6-5(3-8)4-9-7(10-6)12-2/h4H,1-2H3 |
| InChI Key | AGJATLRDZXCNDV-UHFFFAOYSA-N |
| MDL Number | MFCD24448829 |
| Molecular Formula | C7H7N3O2 |
| Molecular Weight | 165.1494 |
| SMILES | COc1nc(OC)ncc1C#N |
| Synonyms | 2,4-dimethoxypyrimidine-5-carbonitrile,
14445-57-9,
SCHEMBL3817806,
KM5551,
ZINC83269709,
AKOS022967574,
CJ-22100,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.152g/mol |
| Monoisotopic Mass | 165.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number