| CAS Number | 941117-65-3 |
| Catalog Number | AG019PPH |
| Chemical Name | 6-amino-5-(2-chloroacetyl)-1-(2-methoxyethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 6-amino-5-(2-chloroacetyl)-1-(2-methoxyethyl)pyrimidine-2,4-dione |
| InChI | InChI=1S/C9H12ClN3O4/c1-17-3-2-13-7(11)6(5(14)4-10)8(15)12-9(13)16/h2-4,11H2,1H3,(H,12,15,16) |
| InChI Key | JKESSSFUCRWDAP-UHFFFAOYSA-N |
| MDL Number | MFCD18380777 |
| Molecular Formula | C9H12ClN3O4 |
| Molecular Weight | 261.6623 |
| SMILES | COCCN1C(=O)NC(=O)C(C(CCl)=O)=C1N |
| Synonyms | 6-amino-5-(2-chloroacetyl)-1-(2-methoxyethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione,
6-amino-5-(chloroacetyl)-1-(2-methoxyethyl)pyrimidine-2,4(1H,3H)-dione,
941117-65-3,
AC1Q4FWG,
CTK7B3226,
ZINC11566800,
AKOS015866252,
MCULE-8183473096,
NE32461,
UPCMLD0ENAT5899183:001,
EN300-24647,
|
| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.662g/mol |
| Monoisotopic Mass | 261.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number