| CAS Number | 40929-49-5 |
| Catalog Number | AG00BXDI(AGN-PC-0JQ9XO) |
| Chemical Name | 5-PYRIMIDINECARBOXAMIDE |
| IUPAC Name | pyrimidine-5-carboxamide |
| InChI | InChI=1S/C5H5N3O/c6-5(9)4-1-7-3-8-2-4/h1-3H,(H2,6,9) |
| InChI Key | QDXGKRWDQCEABB-UHFFFAOYSA-N |
| MDL Number | MFCD03426920 |
| Molecular Formula | C5H5N3O |
| Molecular Weight | 123.1127 |
| NSC Number | 523449 |
| SMILES | O=C(C1=CN=CN=C1)N |
| Synonyms | 5-Pyrimidinecarboxamide,
pyrimidine-5-carboxamide,
40929-49-5,
NSC523449,
AC1L6Z4H,
SCHEMBL503242,
PYRIMIDIN-5-CARBOXAMIDE,
CTK1D8379,
DTXSID70326062,
QDXGKRWDQCEABB-UHFFFAOYSA-N,
ZINC334399,
AKOS006279768,
MCULE-9964800006,
NSC-523449,
182467-EP2271629A1,
CID351819,
5-Pyrimidinecarboxamide (6CI, 7CI, 9CI),
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| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 123.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 123.115g/mol |
| Monoisotopic Mass | 123.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number