| CAS Number | 1713477-40-7 |
| Catalog Number | AG01FM5C(AGN-PC-3H5M9A) |
| Chemical Name | 6-(Difluoromethyl)-2-methylpyrimidin-4(3H)-one |
| IUPAC Name | 4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C6H6F2N2O/c1-3-9-4(6(7)8)2-5(11)10-3/h2,6H,1H3,(H,9,10,11) |
| InChI Key | XCSXNMDGSUKSGR-UHFFFAOYSA-N |
| MDL Number | MFCD27940575 |
| Molecular Formula | C6H6F2N2O |
| Molecular Weight | 160.1214 |
| SMILES | CC1=NC(C(F)F)=CC(O)=N1 |
| Synonyms | 6-(difluoromethyl)-2-methylpyrimidin-4-ol,
6-(Difluoromethyl)-2-methylpyrimidin-4(3H)-one,
1713477-40-7,
SCHEMBL19893937,
ZINC96529437,
AKOS026714798,
F1967-4142,
6-Difluoromethyl-2-methyl-3H-pyrimidin-4-one,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.124g/mol |
| Monoisotopic Mass | 160.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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