| CAS Number | 2080306-21-2 |
| Catalog Number | AG01EOPM(AGN-PC-3H46H1) |
| Chemical Name | N-(3-((5-Cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide dihydrochloride |
| IUPAC Name | N-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide;dihydrochloride |
| InChI | InChI=1S/C25H34N6O.2ClH/c1-31-13-10-19-14-21(9-8-20(19)16-31)29-25-28-15-22(17-6-7-17)23(30-25)26-11-3-12-27-24(32)18-4-2-5-18;;/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H,27,32)(H2,26,28,29,30);2*1H |
| InChI Key | NLKPLTWKINJHCK-UHFFFAOYSA-N |
| MDL Number | MFCD30343873 |
| Molecular Formula | C25H36Cl2N6O |
| Molecular Weight | 507.4989 |
| SMILES | Cl.Cl.C1(CC1)C=1C(=NC(=NC1)NC=1C=C2CCN(CC2=CC1)C)NCCCNC(=O)C1CCC1 |
| Synonyms | MRT68921 dihydrochloride,
MRT68921 (hydrochloride),
2080306-21-2,
MRT 68921 dihydrochloride,
AKOS030211002,
CS-5609,
HY-100006A,
MRT68921 dihydrochloride, >=98% (HPLC),
N-[3-[[5-Cyclopropyl-2-[(1,2,3,4-tetrahydro-2-methyl-6-isoquinolinyl)amino]-4-pyrimidinyl]amino]propyl]cyclobutanecarboxamide dihydrochloride,
MRT68921 hydrochloride,
|
| Complexity | 624 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 506.233g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 507.504g/mol |
| Monoisotopic Mass | 506.233g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number