| CAS Number | 731011-95-3 |
| Catalog Number | AG019IJD |
| Chemical Name | N-(6-amino-2,4-dioxo-1-propyl-1,2,3,4-tetrahydropyrimidin-5-yl)-N-butyl-2-chloroacetamide |
| IUPAC Name | N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-chloroacetamide |
| InChI | InChI=1S/C13H21ClN4O3/c1-3-5-7-17(9(19)8-14)10-11(15)18(6-4-2)13(21)16-12(10)20/h3-8,15H2,1-2H3,(H,16,20,21) |
| InChI Key | GGLVBFJXJFVEQO-UHFFFAOYSA-N |
| MDL Number | MFCD04626508 |
| Molecular Formula | C13H21ClN4O3 |
| Molecular Weight | 316.7838 |
| SMILES | CCCCN(C1C(=O)NC(=O)N(CCC)C=1N)C(CCl)=O |
| Synonyms | N-(6-amino-2,4-dioxo-1-propyl-1,2,3,4-tetrahydropyrimidin-5-yl)-N-butyl-2-chloroacetamide,
731011-95-3,
AC1NP7JK,
AC1Q2WPM,
CTK6E1946,
ZINC3886744,
AKOS001045707,
MCULE-1995628081,
NE29234,
UPCMLD0ENAT0520-4091:001,
EN300-06884,
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-chloroacetamide,
ZINC03886744,
CID5152762,
|
| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.786g/mol |
| Monoisotopic Mass | 316.13g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 95.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number