| CAS Number | 103984-27-6 |
| Catalog Number | AG01A9XJ |
| Chemical Name | N-Methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| IUPAC Name | N-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine |
| InChI | InChI=1S/C12H11N5/c1-13-11-10-7-16-17(12(10)15-8-14-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,15) |
| InChI Key | ZRRSRZDWRAGYSZ-UHFFFAOYSA-N |
| MDL Number | MFCD11204655 |
| Molecular Formula | C12H11N5 |
| Molecular Weight | 225.2492 |
| NSC Number | 3960 |
| SMILES | CNc1c2cnn(c2ncn1)c3ccccc3 |
| Synonyms | N-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine,
103984-27-6,
NSC3960,
AC1Q40WS,
Oprea1_046399,
AC1L59A6,
methyl-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine,
NSC-3960,
ZINC1672928,
AKOS004121846,
MCULE-3299600467,
NE26595,
EN300-66478,
N-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine,
Z57101189,
CID220757,
|
| Complexity | 253 |
| 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 | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number