| CAS Number | 1039364-84-5 |
| Catalog Number | AG00HA83 |
| Chemical Name | 6-(4-Aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine |
| IUPAC Name | 6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine |
| InChI | InChI=1S/C12H10BrN5/c13-10-6-17-18-11(15)9(5-16-12(10)18)7-1-3-8(14)4-2-7/h1-6H,14-15H2 |
| InChI Key | LXQULVNWIZYFAO-UHFFFAOYSA-N |
| MDL Number | MFCD13192344 |
| Molecular Formula | C12H10BrN5 |
| Molecular Weight | 304.1453 |
| SMILES | NC1=CC=C(C=C1)C1=C(N)N2N=CC(Br)=C2N=C1 |
| Synonyms | 6-(4-Aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine,
1039364-84-5,
CHEMBL505018,
DTXSID00647838,
BDBM50243323,
MFCD13192344,
AS-41836,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.151g/mol |
| Monoisotopic Mass | 303.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number