| CAS Number | 90158-72-8 |
| Catalog Number | AG01A3KI(AGN-PC-0LDK6L) |
| Chemical Name | 2-cyano-N-(pyrimidin-2-yl)acetamide |
| IUPAC Name | 2-cyano-N-pyrimidin-2-ylacetamide |
| InChI | InChI=1S/C7H6N4O/c8-3-2-6(12)11-7-9-4-1-5-10-7/h1,4-5H,2H2,(H,9,10,11,12) |
| InChI Key | ZQQDHDUYVWOSSB-UHFFFAOYSA-N |
| MDL Number | MFCD03388118 |
| Molecular Formula | C7H6N4O |
| Molecular Weight | 162.1487 |
| SMILES | O=C(NC1=NC=CC=N1)CC#N |
| Synonyms | 2-cyano-N-(pyrimidin-2-yl)acetamide,
90158-72-8,
AC1NDJS5,
2-cyano-N-pyrimidin-2-ylacetamide,
ZINC6342943,
Acetamide, 2-cyano-N-2-pyrimidinyl-,
AKOS000186189,
MCULE-1475338516,
NE27617,
Z1582264120,
2-cyano-N-pyrimidin-2-yl-acetamide,
CID4577017,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.152g/mol |
| Monoisotopic Mass | 162.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number