| CAS Number | 941190-92-7 |
| Catalog Number | AG019PPI |
| Chemical Name | 6-amino-5-(2-chloroacetyl)-1-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 6-amino-5-(2-chloroacetyl)-1-(2-methylpropyl)pyrimidine-2,4-dione |
| InChI | InChI=1S/C10H14ClN3O3/c1-5(2)4-14-8(12)7(6(15)3-11)9(16)13-10(14)17/h5H,3-4,12H2,1-2H3,(H,13,16,17) |
| InChI Key | HHRJFISOYUHADD-UHFFFAOYSA-N |
| MDL Number | MFCD09403606 |
| Molecular Formula | C10H14ClN3O3 |
| Molecular Weight | 259.6895 |
| SMILES | CC(CN1C(=O)NC(=O)C(C(CCl)=O)=C1N)C |
| Synonyms | 6-amino-5-(2-chloroacetyl)-1-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione,
941190-92-7,
6-amino-5-(chloroacetyl)-1-isobutylpyrimidine-2,4(1H,3H)-dione,
AC1Q1PKT,
CTK6H4561,
ZINC11566777,
AKOS005261868,
MCULE-4117714843,
NE25886,
UPCMLD0ENAT5899172:001,
EN300-24648,
Z235348027,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.69g/mol |
| Monoisotopic Mass | 259.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number