| CAS Number | 1946010-79-2 |
| Catalog Number | AG01EBPS(AGN-PC-0WCXOJ) |
| Chemical Name | (R)-1-((5-Chloropyridin-3-yl)methyl)-8-((R)-3-methylmorpholino)-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one |
| IUPAC Name | (8R)-9-[(5-chloropyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one |
| InChI | InChI=1S/C19H21ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6-9,12,15H,2-5,10-11H2,1H3/t12-,15-/m1/s1 |
| InChI Key | SPDQRCUBFSRAFI-IUODEOHRSA-N |
| MDL Number | MFCD29037449 |
| Molecular Formula | C19H21ClF3N5O2 |
| Molecular Weight | 443.8505 |
| SMILES | C12N(CC3=CC(Cl)=CN=C3)[C@@H](C(F)(F)F)CCN1C(=O)C=C(N1CCOC[C@H]1C)N=2 |
| Synonyms | SAR405 R enantiomer,
(R)-1-((5-Chloropyridin-3-yl)methyl)-8-((R)-3-methylmorpholino)-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one,
1946010-79-2,
HY-12481A,
AKOS025396276,
ZINC253496190,
AK173923,
CS-0033495,
N/A,
|
| Complexity | 731 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 443.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 443.855g/mol |
| Monoisotopic Mass | 443.134g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number