| CAS Number | 1133115-93-1 |
| Catalog Number | AG003RMI(AGN-PC-07XU7Q) |
| Chemical Name | Methyl 2-amino-4-(3-bromophenyl)pyrimidine-5-carboxylate |
| IUPAC Name | methyl 2-amino-4-(3-bromophenyl)pyrimidine-5-carboxylate |
| InChI | InChI=1S/C12H10BrN3O2/c1-18-11(17)9-6-15-12(14)16-10(9)7-3-2-4-8(13)5-7/h2-6H,1H3,(H2,14,15,16) |
| InChI Key | CAXSHYMFYJLHSP-UHFFFAOYSA-N |
| MDL Number | MFCD11855912 |
| Molecular Formula | C12H10BrN3O2 |
| Molecular Weight | 308.1307 |
| SMILES | COC(=O)c1cnc(nc1c1cccc(c1)Br)N |
| Synonyms | METHYL 2-AMINO-4-(3-BROMOPHENYL)PYRIMIDINE-5-CARBOXYLATE,
1133115-93-1,
ACMC-2099is,
CTK4A8232,
DTXSID20674888,
ANW-16610,
MFCD11855912,
ZINC38537336,
AKOS015854831,
RTR-002565,
AJ-96081,
CJ-19444,
AX8242893,
TR-002565,
Z7447,
A-4999,
I03-855,
Methyl 2-amino-4-(3-bromophenyl)-pyrimidine-5-carboxylate,
C12H10BrN3O2,
METHYL2-AMINO-4-(3-BROMOPHENYL)PYRIMIDINE-5-CARBOXYLATE,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.135g/mol |
| Monoisotopic Mass | 306.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number