| CAS Number | 1620482-40-7 |
| Catalog Number | AG00IS54(AGN-PC-0WAZ4L) |
| Chemical Name | 5-(2-Bromo-5-methoxyphenoxy)pyrimidine-2,4-diamine |
| IUPAC Name | 5-(2-bromo-5-methoxyphenoxy)pyrimidine-2,4-diamine |
| InChI | InChI=1S/C11H11BrN4O2/c1-17-6-2-3-7(12)8(4-6)18-9-5-15-11(14)16-10(9)13/h2-5H,1H3,(H4,13,14,15,16) |
| InChI Key | UDTPHIUYGLIGEI-UHFFFAOYSA-N |
| MDL Number | MFCD28101526 |
| Molecular Formula | C11H11BrN4O2 |
| Molecular Weight | 311.1346 |
| SMILES | [Br]C2(=C(OC1(=C(N=C(N)N=C1)N))C=C(OC)C=C2) |
| Synonyms | 5-(2-bromo-5-methoxyphenoxy)pyrimidine-2,4-diamine,
1620482-40-7,
KS-00001Q0V,
AKOS025393322,
ZINC169620343,
OR310909,
CS-4239,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.139g/mol |
| Monoisotopic Mass | 310.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number