| CAS Number | 1250489-59-8 |
| Catalog Number | AG019YEM(AGN-PC-0WO8OB) |
| Chemical Name | 3-[(6-Chloropyrimidin-4-yl)amino]propanamide |
| IUPAC Name | 3-[(6-chloropyrimidin-4-yl)amino]propanamide |
| InChI | InChI=1S/C7H9ClN4O/c8-5-3-7(12-4-11-5)10-2-1-6(9)13/h3-4H,1-2H2,(H2,9,13)(H,10,11,12) |
| InChI Key | REIFQFOKZOROAE-UHFFFAOYSA-N |
| MDL Number | MFCD14611235 |
| Molecular Formula | C7H9ClN4O |
| Molecular Weight | 200.6256 |
| SMILES | NC(CCNC1=NC=NC(Cl)=C1)=O |
| Synonyms | 3-[(6-chloropyrimidin-4-yl)amino]propanamide,
1250489-59-8,
ZINC48631252,
AKOS010531079,
MCULE-9935197655,
NE21228,
Z1695822077,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.626g/mol |
| Monoisotopic Mass | 200.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number