| CAS Number | 1258651-37-4 |
| Catalog Number | AG01AAYS(AGN-PC-0WO9N6) |
| Chemical Name | N1-{3-bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}ethane-1,2-diamine |
| IUPAC Name | N'-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine |
| InChI | InChI=1S/C8H11BrN6/c1-15-8-5(6(9)14-15)7(11-3-2-10)12-4-13-8/h4H,2-3,10H2,1H3,(H,11,12,13) |
| InChI Key | GTLPCRGOMMWTKG-UHFFFAOYSA-N |
| MDL Number | MFCD17976999 |
| Molecular Formula | C8H11BrN6 |
| Molecular Weight | 271.1171 |
| SMILES | CN1C2=C(C(=NC=N2)NCCN)C(Br)=N1 |
| Synonyms | N-(2-aminoethyl)-3-bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine,
1258651-37-4,
N1-{3-bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}ethane-1,2-diamine,
AC1Q404U,
CHEMBL3831171,
ZINC57218708,
AKOS026729178,
ZINC252474563,
MCULE-4133577576,
NE48012,
EN300-69954,
Z1222278690,
N1-{3-bromo-1-methyl-1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-ylidene}ethane-1,2-diamine,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.122g/mol |
| Monoisotopic Mass | 270.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number