| CAS Number | 1133115-58-8 |
| Catalog Number | AG003RMO(AGN-PC-07XU63) |
| Chemical Name | Methyl 2-amino-4-p-tolylpyrimidine-5-carboxylate |
| IUPAC Name | methyl 2-amino-4-(4-methylphenyl)pyrimidine-5-carboxylate |
| InChI | InChI=1S/C13H13N3O2/c1-8-3-5-9(6-4-8)11-10(12(17)18-2)7-15-13(14)16-11/h3-7H,1-2H3,(H2,14,15,16) |
| InChI Key | RURVMBMZJVLGHL-UHFFFAOYSA-N |
| MDL Number | MFCD11855875 |
| Molecular Formula | C13H13N3O2 |
| Molecular Weight | 243.2612 |
| SMILES | COC(=O)c1cnc(nc1c1ccc(cc1)C)N |
| Synonyms | 1133115-58-8,
Methyl 2-amino-4-p-tolylpyrimidine-5-carboxylate,
Methyl 2-amino-4-(p-tolyl)pyrimidine-5-carboxylate,
ACMC-2099ib,
CTK8A9269,
DTXSID80674829,
ANW-16593,
MFCD11855875,
ZINC38537285,
AKOS015854858,
RTR-002548,
AJ-96041,
AX8229583,
ST2407137,
TR-002548,
Z7430,
A-4983,
I03-859,
methyl 2-amino-4-(4-methylphenyl)pyrimidine-5-carboxylate,
C13H13N3O2,
Methyl2-amino-4-(p-tolyl)pyrimidine-5-carboxylate,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.266g/mol |
| Monoisotopic Mass | 243.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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