| CAS Number | 1133115-54-4 |
| Catalog Number | AG003RMM(AGN-PC-07XU62) |
| Chemical Name | Methyl 2-amino-4-(4-fluorophenyl)pyrimidine-5-carboxylate |
| IUPAC Name | methyl 2-amino-4-(4-fluorophenyl)pyrimidine-5-carboxylate |
| InChI | InChI=1S/C12H10FN3O2/c1-18-11(17)9-6-15-12(14)16-10(9)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,15,16) |
| InChI Key | OLAPAXBLTBUSJJ-UHFFFAOYSA-N |
| MDL Number | MFCD11855873 |
| Molecular Formula | C12H10FN3O2 |
| Molecular Weight | 247.2251 |
| SMILES | COC(=O)c1cnc(nc1c1ccc(cc1)F)N |
| Synonyms | METHYL 2-AMINO-4-(4-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLATE,
1133115-54-4,
ACMC-2099i9,
CTK4A8214,
DTXSID20674828,
ANW-16591,
MFCD11855873,
ZINC38537284,
AKOS015854869,
RTR-002546,
AJ-96040,
CJ-19415,
AX8240424,
TR-002546,
Z7428,
A-4981,
I03-861,
Methyl 2-amino-4-(4-fluorophenyl)-pyrimidine-5-carboxylate,
C12H10FN3O2,
METHYL2-AMINO-4-(4-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLATE,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.229g/mol |
| Monoisotopic Mass | 247.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number