| CAS Number | 568543-68-0 |
| Catalog Number | AG019HNC |
| Chemical Name | 6-amino-1-benzyl-5-(2-chloroacetyl)-3-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 6-amino-1-benzyl-5-(2-chloroacetyl)-3-ethylpyrimidine-2,4-dione |
| InChI | InChI=1S/C15H16ClN3O3/c1-2-18-14(21)12(11(20)8-16)13(17)19(15(18)22)9-10-6-4-3-5-7-10/h3-7H,2,8-9,17H2,1H3 |
| InChI Key | LKJDOBQUFMAPMJ-UHFFFAOYSA-N |
| MDL Number | MFCD03964653 |
| Molecular Formula | C15H16ClN3O3 |
| Molecular Weight | 321.7588 |
| SMILES | CCN1C(=O)N(CC2=CC=CC=C2)C(N)=C(C(CCl)=O)C1=O |
| Synonyms | 6-amino-1-benzyl-5-(2-chloroacetyl)-3-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione,
568543-68-0,
6-Amino-1-benzyl-5-(2-chloro-acetyl)-3-ethyl-1H-pyrimidine-2,4-dione,
AC1M5SAM,
AC1Q2ZWJ,
CTK6H4579,
ZINC3268162,
AKOS030698265,
MCULE-4659348771,
NE31589,
EN300-04113,
6-amino-1-benzyl-5-(2-chloroacetyl)-3-ethylpyrimidine-2,4-dione,
ZINC03268162,
CID2384505,
|
| Complexity | 512 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.761g/mol |
| Monoisotopic Mass | 321.088g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number