| CAS Number | 712320-67-7 |
| Catalog Number | AG00FDIL(AGN-PC-04V9CF) |
| Chemical Name | Ethyl 2-amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate |
| IUPAC Name | ethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate |
| InChI | InChI=1S/C16H18FN3O2/c1-4-22-15(21)12-13(9(2)3)19-16(18)20-14(12)10-5-7-11(17)8-6-10/h5-9H,4H2,1-3H3,(H2,18,19,20) |
| InChI Key | QLXLISAWVGPSSW-UHFFFAOYSA-N |
| MDL Number | MFCD09840586 |
| Molecular Formula | C16H18FN3O2 |
| Molecular Weight | 303.3314 |
| SMILES | CCOC(=O)c1c(nc(N)nc1c2ccc(F)cc2)C(C)C |
| Synonyms | 712320-67-7,
ETHYL 4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-AMINO-PYRIMIDINE-5-CARBOXYLATE,
ethyl 4-(4-fluorophenyl)-6-isopropyl-2-aminopyrimidine-5-carboxylate,
QLXLISAWVGPSSW-UHFFFAOYSA-N,
SCHEMBL3843460,
CTK8E5841,
DTXSID50648355,
ZINC22058934,
AKOS030255651,
RT-012596,
FT-0668270,
Ethyl 2-amino-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidine-5-carboxylate,
ethyl 2-amino-4-(4-fluorophenyl)-6-isopropyl-pyrimidine-5-carboxylate,
2-Amino-4-(4-fluorophenyl)-6-(1-methylethyl)-5-pyrimidinecarboxylic Acid Ethyl Ester,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.337g/mol |
| Monoisotopic Mass | 303.138g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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