| CAS Number | 1133115-66-8 |
| Catalog Number | AG0090EL(AGN-PC-0WCCQP) |
| Chemical Name | Methyl 2-amino-4-(4-bromophenyl)pyrimidine-5-carboxylate |
| IUPAC Name | methyl 2-amino-4-(4-bromophenyl)pyrimidine-5-carboxylate |
| InChI | InChI=1S/C12H10BrN3O2/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 | SFTNEVYYTVMHCB-UHFFFAOYSA-N |
| MDL Number | MFCD11855881 |
| Molecular Formula | C12H10BrN3O2 |
| Molecular Weight | 308.1307 |
| SMILES | COC(=O)c1cnc(nc1c1ccc(cc1)Br)N |
| Synonyms | METHYL 2-AMINO-4-(4-BROMOPHENYL)PYRIMIDINE-5-CARBOXYLATE,
1133115-66-8,
ACMC-2099if,
CTK4A8219,
DTXSID10674837,
METHYL2-AMINO-4-(4-BROMOPHENYL)PYRIMIDINE-5-CARBOXYLATE,
ANW-16597,
MFCD11855881,
ZINC38537299,
AKOS015854857,
RTR-002552,
AJ-96051,
CJ-19422,
AX8229584,
ST2407135,
TR-002552,
Z7434,
B-6465,
I03-858,
Methyl 2-amino-4-(4-bromophenyl)-pyrimidine-5-carboxylate,
C12H10BrN3O2,
|
| Complexity | 295 |
| 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