| CAS Number | 2070014-87-6 |
| Catalog Number | AG01FSQF(AGN-PC-3H60A6) |
| Chemical Name | MRT68921 hydrochloride |
| IUPAC Name | N-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide;hydrochloride |
| InChI | InChI=1S/C25H34N6O.ClH/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);1H |
| InChI Key | SCEOGAWLKSVXHH-UHFFFAOYSA-N |
| MDL Number | MFCD30187515 |
| Molecular Formula | C25H35ClN6O |
| Molecular Weight | 471.0380 |
| SMILES | O=C(C1CCC1)NCCCNC2=NC(NC3=CC4=C(CN(C)CC4)C=C3)=NC=C2C5CC5.[H]Cl |
| Synonyms | MRT68921 hydrochloride,
2070014-87-6,
MRT68921 inverted exclamation mark currencyxHydrochloride,
MRT68921 HCl,
MRT68921 (hydrochloride),
AK685491,
N/A,
|
| Complexity | 624 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 470.256087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 471g/mol |
| Monoisotopic Mass | 470.256087g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 82.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number