| CAS Number | 193696-12-7 |
| Catalog Number | AG01C3QA(AGN-PC-0QMAJO) |
| Chemical Name | 1,3-dimethyl-6-(morpholin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde |
| IUPAC Name | 1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde |
| InChI | InChI=1S/C11H15N3O4/c1-12-9(14-3-5-18-6-4-14)8(7-15)10(16)13(2)11(12)17/h7H,3-6H2,1-2H3 |
| InChI Key | DBRRBDVVUMXCLQ-UHFFFAOYSA-N |
| MDL Number | MFCD29762845 |
| Molecular Formula | C11H15N3O4 |
| Molecular Weight | 253.2545 |
| SMILES | CN1C(=O)N(C)C(=O)C(C=O)=C1N1CCOCC1 |
| Synonyms | 193696-12-7,
DBRRBDVVUMXCLQ-UHFFFAOYSA-,
ZINC34528900,
AKOS030223616,
1,3-Dimethyl-5-formyl-6-morpholino-1,2,3,4-tetrahydropyrimidine-2,4-dione,
InChI=1/C11H15N3O4/c1-12-9(14-3-5-18-6-4-14)8(7-15)10(16)13(2)11(12)17/h7H,3-6H2,1-2H3,
1,3-dimethyl-6-(morpholin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde,
|
| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.258g/mol |
| Monoisotopic Mass | 253.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number