| CAS Number | 1545350-95-5 |
| Catalog Number | AG01C84P |
| Chemical Name | 6-amino-5-chloro-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 6-amino-5-chloro-1-ethylpyrimidine-2,4-dione |
| InChI | InChI=1S/C6H8ClN3O2/c1-2-10-4(8)3(7)5(11)9-6(10)12/h2,8H2,1H3,(H,9,11,12) |
| InChI Key | VTKHDTVLCWWNAE-UHFFFAOYSA-N |
| MDL Number | MFCD24183556 |
| Molecular Formula | C6H8ClN3O2 |
| Molecular Weight | 189.5996 |
| SMILES | CCN1C(=O)NC(=O)C(Cl)=C1N |
| Synonyms | 6-amino-5-chloro-1-ethylpyrimidine-2,4(1H,3H)-dione,
1545350-95-5,
AKOS034077116,
ZINC167731408,
6-amino-5-chloro-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.599g/mol |
| Monoisotopic Mass | 189.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number