| CAS Number | 737005-53-7 |
| Catalog Number | AG00FDLZ(AGN-PC-0N4Q3Z) |
| Chemical Name | 2-Chloro-9-cyclohexyl-N-[4-(4-morpholinyl)phenyl]-9H-purin-6-amine |
| IUPAC Name | 2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine |
| InChI | InChI=1S/C21H25ClN6O/c22-21-25-19(18-20(26-21)28(14-23-18)17-4-2-1-3-5-17)24-15-6-8-16(9-7-15)27-10-12-29-13-11-27/h6-9,14,17H,1-5,10-13H2,(H,24,25,26) |
| InChI Key | RRZNYEDYEXGHIS-UHFFFAOYSA-N |
| MDL Number | MFCD18379268 |
| Molecular Formula | C21H25ClN6O |
| Molecular Weight | 412.9158 |
| SMILES | C1CCC(CC1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)N5CCOCC5)Cl |
| Synonyms | 737005-53-7,
2-Chloro-9-cyclohexyl-N-[4-(4-morpholinyl)phenyl]-9H-purin-6-amine,
SCHEMBL14075693,
DTXSID80440208,
ZINC38899513,
FT-0664601,
2-Chloro-9-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-9H-purin-6-amine,
RRZNYEDYEXGHIS-UHFFFAOYSA-N,
CID10454386,
2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine,
2-chloro-9-cyclohexyl-N-(4-morpholinophenyl)-9H-purin-6-amine,
|
| Complexity | 521 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 412.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 412.922g/mol |
| Monoisotopic Mass | 412.178g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number