| CAS Number | 114969-63-0 |
| Catalog Number | AG00924X(AGN-PC-00O9CD) |
| Chemical Name | 5-Methylpyrimidine-4-carbonitrile |
| IUPAC Name | 5-methylpyrimidine-4-carbonitrile |
| InChI | InChI=1S/C6H5N3/c1-5-3-8-4-9-6(5)2-7/h3-4H,1H3 |
| InChI Key | SXYJWIDDRHKVCY-UHFFFAOYSA-N |
| MDL Number | MFCD18820938 |
| Molecular Formula | C6H5N3 |
| Molecular Weight | 119.1240 |
| SMILES | CC1=C(C#N)N=CN=C1 |
| Synonyms | 114969-63-0,
5-methylpyrimidine-4-carbonitrile,
5-methyl-4-Pyrimidinecarbonitrile,
4-Pyrimidinecarbonitrile, 5-methyl- (9CI),
SCHEMBL15985325,
4-pyrimidinecarbonitrile,5-methyl-,
4-Pyrimidinecarbonitrile, 5-methyl-,
ZINC39052614,
AKOS022632918,
MCULE-3244334443,
AS-48747,
DB-060652,
FT-0744039,
Q-9136,
Z1459934805,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 119.048347g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 119.12g/mol |
| Monoisotopic Mass | 119.048347g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number