| CAS Number | 190654-89-8 |
| Catalog Number | AG01C2SA(AGN-PC-0O63AW) |
| Chemical Name | 2-Chloro-N-(3-methoxyphenyl)-7H-purin-6-amine |
| IUPAC Name | 2-chloro-N-(3-methoxyphenyl)-7H-purin-6-amine |
| InChI | InChI=1S/C12H10ClN5O/c1-19-8-4-2-3-7(5-8)16-11-9-10(15-6-14-9)17-12(13)18-11/h2-6H,1H3,(H2,14,15,16,17,18) |
| InChI Key | VEMDTFVUDJLJKF-UHFFFAOYSA-N |
| MDL Number | MFCD27285763 |
| Molecular Formula | C12H10ClN5O |
| Molecular Weight | 275.6937 |
| SMILES | ClC1=NC(=C2NC=NC2=N1)NC1=CC(=CC=C1)OC |
| Synonyms | 2-chloro-6-(3-methoxyphenyl)aminopurine,
INCYDE,
2-Chloro-6-(3-methoxyanilino)purine,
2-chloro-N-(3-methoxyphenyl)-7H-purin-6-amine,
190654-89-8,
CHEMBL484383,
SCHEMBL3004036,
VEMDTFVUDJLJKF-UHFFFAOYSA-N,
BDBM50274549,
ZINC40937719,
2-chloro-6-(3-methoxyphenyl)aminopurine,
2-Chloro-N-(3-methoxyphenyl)-1H-purine-6-amine,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.696g/mol |
| Monoisotopic Mass | 275.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number