| CAS Number | 1187385-80-3 |
| Catalog Number | AG003RMJ(AGN-PC-07XU6G) |
| Chemical Name | Methyl 2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate |
| IUPAC Name | methyl 2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate |
| InChI | InChI=1S/C13H13N3O3/c1-18-9-5-3-4-8(6-9)11-10(12(17)19-2)7-15-13(14)16-11/h3-7H,1-2H3,(H2,14,15,16) |
| InChI Key | RUYXIJYLNGGLPK-UHFFFAOYSA-N |
| MDL Number | MFCD12756429 |
| Molecular Formula | C13H13N3O3 |
| Molecular Weight | 259.2606 |
| SMILES | COc1cccc(c1)c1nc(N)ncc1C(=O)OC |
| Synonyms | METHYL 2-AMINO-4-(3-METHOXYPHENYL)PYRIMIDINE-5-CARBOXYLATE,
1187385-80-3,
ACMC-2099yn,
CTK4B0830,
DTXSID60674842,
ANW-17181,
MFCD12756429,
ZINC38537304,
AKOS015854846,
AJ-96056,
CJ-19425,
AX8229586,
TR-034247,
ST24025202,
Z7960,
A-5268,
I03-857,
C13H13N3O3,
Methyl2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.265g/mol |
| Monoisotopic Mass | 259.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number