| CAS Number | 1410614-33-3 |
| Catalog Number | AG01DYQH |
| Chemical Name | 9-[(3,5-dimethylphenyl)methyl]-9H-purin-6-amine |
| IUPAC Name | 9-[(3,5-dimethylphenyl)methyl]purin-6-amine |
| InChI | InChI=1S/C14H15N5/c1-9-3-10(2)5-11(4-9)6-19-8-18-12-13(15)16-7-17-14(12)19/h3-5,7-8H,6H2,1-2H3,(H2,15,16,17) |
| InChI Key | YKWWCXRVPZWQFS-UHFFFAOYSA-N |
| MDL Number | MFCD18594414 |
| Molecular Formula | C14H15N5 |
| Molecular Weight | 253.3024 |
| SMILES | CC1=CC(CN2C3=C(C(=NC=N3)N)N=C2)=CC(C)=C1 |
| Synonyms | 9-[(3,5-dimethylphenyl)methyl]-9H-purin-6-amine,
1410614-33-3,
AKOS012921028,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.309g/mol |
| Monoisotopic Mass | 253.133g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number