| CAS Number | 937691-16-2 |
| Catalog Number | AG019LKC |
| Chemical Name | 1-Ethyl-7-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid |
| IUPAC Name | 1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C13H15N3O4/c1-4-16-10-9(11(17)15-13(16)20)7(12(18)19)5-8(14-10)6(2)3/h5-6H,4H2,1-3H3,(H,18,19)(H,15,17,20) |
| InChI Key | MJKPBWIDJWASIC-UHFFFAOYSA-N |
| MDL Number | MFCD08753970 |
| Molecular Formula | C13H15N3O4 |
| Molecular Weight | 277.2759 |
| SMILES | CCN1C2=C(C(C(O)=O)=CC(C(C)C)=N2)C(=O)NC1=O |
| Synonyms | 1-ethyl-2,4-dioxo-7-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid,
937691-16-2,
1-ethyl-7-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid,
AC1Q2ZWX,
CTK6E8795,
ZINC11567490,
AKOS002666732,
MCULE-8683482167,
NE14046,
EN300-31549,
|
| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.28g/mol |
| Monoisotopic Mass | 277.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 99.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number