| CAS Number | 1191911-27-9 |
| Catalog Number | AG008TLN(AGN-PC-0WOFU7) |
| Chemical Name | N-{2-[(5-chloro-2-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}methanesulfonamide |
| IUPAC Name | N-[2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide |
| InChI | InChI=1S/C22H25ClN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h3-8,13-14,28H,9-12H2,1-2H3,(H2,24,25,26,27) |
| InChI Key | CLGWUCNXOBLWFM-UHFFFAOYSA-N |
| MDL Number | MFCD26401527 |
| Molecular Formula | C22H25ClN6O4S |
| Molecular Weight | 504.9897 |
| SMILES | CS(=O)(NC1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCOCC4)C=C3OC)=NC=C2Cl)=O |
| Synonyms | CZC-54252,
1191911-27-9,
N-{2-[(5-chloro-2-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}methanesulfonamide,
SCHEMBL1460537,
CHEBI:78414,
BCP15148,
CZC54252,
EX-A2222,
HY-B0792,
MFCD26401527,
ZINC98052686,
AKOS027253841,
CS-3945,
NCGC00379153-02,
AK203975,
N-(2-((5-Chloro-2-((2-methoxy-4-morpholinophenyl)amino)pyrimidin-4-yl)amino)phenyl)methanesulfonamide,
CZC 54252 hydrochloride,
czc-25146,
n-(2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)pyrimidin-4-ylamino)phenyl)methanesulfonamide,
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| Complexity | 737 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 504.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 504.99g/mol |
| Monoisotopic Mass | 504.135g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number