| CAS Number | 1464973-29-2 |
| Catalog Number | AG01B6A0 |
| Chemical Name | 1-(tert-butyl)-6-chloro-1h-pyrazolo[3,4-d]pyrimidin-4-amine |
| IUPAC Name | 1-tert-butyl-6-chloropyrazolo[3,4-d]pyrimidin-4-amine |
| InChI | InChI=1S/C9H12ClN5/c1-9(2,3)15-7-5(4-12-15)6(11)13-8(10)14-7/h4H,1-3H3,(H2,11,13,14) |
| InChI Key | OGNQATMMKXSUEL-UHFFFAOYSA-N |
| MDL Number | MFCD30181325 |
| Molecular Formula | C9H12ClN5 |
| Molecular Weight | 225.6781 |
| SMILES | CC(N1C2=C(C(=NC(=N2)Cl)N)C=N1)(C)C |
| Synonyms | 1-tert-butyl-6-chloro-1H-pyrazolo[3,4-d]pyrimidin-4-amine,
1464973-29-2,
ZINC82499817,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.68g/mol |
| Monoisotopic Mass | 225.078g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number