| CAS Number | 127958-01-4 |
| Catalog Number | AG01BN5S |
| Chemical Name | 2-Amino-4-ethylpyrimidine-5-carboxylic acid |
| IUPAC Name | 2-amino-4-ethylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C7H9N3O2/c1-2-5-4(6(11)12)3-9-7(8)10-5/h3H,2H2,1H3,(H,11,12)(H2,8,9,10) |
| InChI Key | LUWFYFMJFQBYFG-UHFFFAOYSA-N |
| MDL Number | MFCD16082795 |
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.1653 |
| SMILES | CCC1=C(C(O)=O)C=NC(N)=N1 |
| Synonyms | 2-amino-4-ethylpyrimidine-5-carboxylic acid,
127958-01-4,
AKOS010968416,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.168g/mol |
| Monoisotopic Mass | 167.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number