| CAS Number | 1021143-59-8 |
| Catalog Number | AG01B6EF |
| Chemical Name | 6-amino-1-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 6-amino-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione |
| InChI | InChI=1S/C6H6F3N3O2/c7-6(8,9)2-12-3(10)1-4(13)11-5(12)14/h1H,2,10H2,(H,11,13,14) |
| InChI Key | SANJVMKVSXVEQA-UHFFFAOYSA-N |
| MDL Number | MFCD11156264 |
| Molecular Formula | C6H6F3N3O2 |
| Molecular Weight | 209.1259 |
| SMILES | NC1N(CC(F)(F)F)C(=O)NC(=O)C=1 |
| Synonyms | 6-amino-1-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione,
1021143-59-8,
ZINC20078573,
AKOS000262095,
Z2527856101,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.128g/mol |
| Monoisotopic Mass | 209.041g/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