| CAS Number | 925006-64-0 |
| Catalog Number | AG00JKGV(AGN-PC-0WBOGO) |
| Chemical Name | 1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine |
| IUPAC Name | 1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine |
| InChI | InChI=1S/C12H11N5/c1-8-4-2-3-5-10(8)17-12-9(6-16-17)11(13)14-7-15-12/h2-7H,1H3,(H2,13,14,15) |
| InChI Key | VCQJWWQVGDBSNN-UHFFFAOYSA-N |
| MDL Number | MFCD08446367 |
| Molecular Formula | C12H11N5 |
| Molecular Weight | 225.2492 |
| SMILES | CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)N |
| Synonyms | 1-o-Tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine,
925006-64-0,
MFCD08446367,
ZINC44672178,
AKOS012323092,
COR0001367,
SEL10768098,
1-o-tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, AldrichCPR,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.255g/mol |
| Monoisotopic Mass | 225.101g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number