| CAS Number | 859207-02-6 |
| Catalog Number | AG004WLQ(AGN-PC-0WNRDG) |
| Chemical Name | 5-Bromo-2-(4-methoxybenzylamino)pyrimidine |
| IUPAC Name | 5-bromo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine |
| InChI | InChI=1S/C12H12BrN3O/c1-17-11-4-2-9(3-5-11)6-14-12-15-7-10(13)8-16-12/h2-5,7-8H,6H2,1H3,(H,14,15,16) |
| InChI Key | PYJFALQWZLZRBT-UHFFFAOYSA-N |
| MDL Number | MFCD12756477 |
| Molecular Formula | C12H12BrN3O |
| Molecular Weight | 294.1472 |
| SMILES | COc1ccc(cc1)CNc1ncc(cn1)Br |
| Synonyms | 859207-02-6,
5-BROMO-2-(4-METHOXYBENZYLAMINO)PYRIMIDINE,
5-Bromo-N-(4-methoxybenzyl)pyrimidin-2-amine,
ACMC-209q7t,
SCHEMBL2392295,
CTK5F5977,
DTXSID40675175,
PYJFALQWZLZRBT-UHFFFAOYSA-N,
ANW-38247,
MFCD12756477,
ZINC38537709,
AKOS013186097,
AJ-96210,
TR-038025,
V8141,
B-5716,
(5-bromo-pyrimidin-2-yl)-(4-methoxy-benzyl)-amine,
5-bromo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine,
I01-11180,
C12H12BrN3O,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.152g/mol |
| Monoisotopic Mass | 293.016g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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