| CAS Number | 310400-36-3 |
| Catalog Number | AG00BTSX(AGN-PC-0R6EDQ) |
| Chemical Name | 6-Amino-5-chloro-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 4-amino-5-chloro-1H-pyrimidin-6-one |
| InChI | InChI=1S/C4H4ClN3O/c5-2-3(6)7-1-8-4(2)9/h1H,(H3,6,7,8,9) |
| InChI Key | YZNLBMDWBPRCAL-UHFFFAOYSA-N |
| MDL Number | MFCD28961197 |
| Molecular Formula | C4H4ClN3O |
| Molecular Weight | 145.5471 |
| SMILES | NC1=C(Cl)C(=O)NC=N1 |
| Synonyms | 310400-36-3,
6-amino-5-chloro-3,4-dihydropyrimidin-4-one,
CTK8I1335,
ZINC39052274,
6-amino-5-chloropyrimidin-4(1h)-one,
AKOS006346945,
AKOS025148467,
6-amino-5-chloro-1,4-dihydropyrimidin-4-one,
Z1945706336,
4 -Pyrimidinone,6-amino-5-chloro-,
4(1H)-Pyrimidinone, 6-amino-5-chloro- (9CI),
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.546g/mol |
| Monoisotopic Mass | 145.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number