| CAS Number | 1450930-95-6 |
| Catalog Number | AG01AFR4(AGN-PC-0WOTQ2) |
| Chemical Name | 4-Cyano-6-methoxypyrimidine |
| IUPAC Name | 6-methoxypyrimidine-4-carbonitrile |
| InChI | InChI=1S/C6H5N3O/c1-10-6-2-5(3-7)8-4-9-6/h2,4H,1H3 |
| InChI Key | OOUKVQBOJCUSAQ-UHFFFAOYSA-N |
| MDL Number | MFCD27980649 |
| Molecular Formula | C6H5N3O |
| Molecular Weight | 135.1234 |
| SMILES | COC1=NC=NC(C#N)=C1 |
| Synonyms | 6-methoxypyrimidine-4-carbonitrile,
1450930-95-6,
4-Cyano-6-methoxypyrimidine,
6-Methoxy-4-cyanopyrimidine,
SCHEMBL4405141,
OOUKVQBOJCUSAQ-UHFFFAOYSA-N,
MFCD27980649,
ZINC75085005,
4-Pyrimidinecarbonitrile, 6-methoxy-,
AKOS022965893,
AS-36602,
Z2235409319,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.126g/mol |
| Monoisotopic Mass | 135.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number