| CAS Number | 833481-73-5 |
| Catalog Number | AG01EO4Y(AGN-PC-0UOEOS) |
| Chemical Name | 2OH-BNPP1 |
| IUPAC Name | 2-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenol |
| InChI | InChI=1S/C16H19N5O/c1-16(2,3)21-15-13(14(17)18-9-19-15)11(20-21)8-10-6-4-5-7-12(10)22/h4-7,9,22H,8H2,1-3H3,(H2,17,18,19) |
| InChI Key | LWLCFWPPMNPMOI-UHFFFAOYSA-N |
| MDL Number | MFCD28120704 |
| Molecular Formula | C16H19N5O |
| Molecular Weight | 297.3550 |
| SMILES | C1(O)=CC=CC=C1CC1C2=C(N)N=CN=C2N(C(C)(C)C)N=1 |
| Synonyms | 2OH-BNPP1,
833481-73-5,
SCHEMBL408505,
2-((4-amino-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl)phenol,
AKOS021601648,
CS-7877,
HY-102081,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.362g/mol |
| Monoisotopic Mass | 297.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number