| CAS Number | 1338494-87-3 |
| Catalog Number | AG00J2LT(AGN-PC-0WC992) |
| Chemical Name | 6-(dimethylamino)-5-fluoro-2(1H)-pyrimidinone |
| IUPAC Name | 6-(dimethylamino)-5-fluoro-1H-pyrimidin-2-one |
| InChI | InChI=1S/C6H8FN3O/c1-10(2)5-4(7)3-8-6(11)9-5/h3H,1-2H3,(H,8,9,11) |
| InChI Key | ODSMLDZBFVDLKY-UHFFFAOYSA-N |
| MDL Number | MFCD20441373 |
| Molecular Formula | C6H8FN3O |
| Molecular Weight | 157.1456 |
| SMILES | C1(N(C)C)=C(F)C=NC(=O)N1 |
| Synonyms | 1338494-87-3,
6-(dimethylamino)-5-fluoro-2(1H)-pyrimidinone,
6-(Dimethylamino)-5-fluoropyrimidin-2(1H)-one,
4-(Dimethylamino)-5-fluoropyrimidin-2-ol,
ALBB-018208,
ZX-AN016894,
ZX-CM010058,
MFCD20441373,
ZINC70461066,
AKOS015960013,
FCH1602757,
Y-8162,
2(1H)-pyrimidinone, 6-(dimethylamino)-5-fluoro-,
6-(Dimethylamino)-5-fluoro-2(1H)-pyrimidinone, AldrichCPR,
6-(dimethylamino)-5-fluoro-1H-pyrimidin-2-one,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.148g/mol |
| Monoisotopic Mass | 157.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number