| CAS Number | 874-20-4 |
| Catalog Number | AG01A5RT(AGN-PC-0IG7TB) |
| Chemical Name | 2-amino-6-chloro-3-methyl-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 2-amino-6-chloro-3-methylpyrimidin-4-one |
| InChI | InChI=1S/C5H6ClN3O/c1-9-4(10)2-3(6)8-5(9)7/h2H,1H3,(H2,7,8) |
| InChI Key | QMMJHXCWJBYQNP-UHFFFAOYSA-N |
| MDL Number | MFCD20697747 |
| Molecular Formula | C5H6ClN3O |
| Molecular Weight | 159.5736 |
| SMILES | Cn1c(=O)cc(nc1N)Cl |
| Synonyms | 2-amino-6-chloro-3-methyl-3,4-dihydropyrimidin-4-one,
874-20-4,
2-amino-6-chloro-3-methyl-3H-pyrimidin-4-one,
SCHEMBL5662165,
QMMJHXCWJBYQNP-UHFFFAOYSA-N,
ZINC95347912,
AKOS026729272,
NE21207,
2-amino-6-chloro-3-methylpyrimidin-4(3H)-one,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.573g/mol |
| Monoisotopic Mass | 159.02g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number