AG00ABT8

1523406-39-4 | (S)-1-((5-Chloropyridin-3-yl)methyl)-8-((R)-3-methylmorpholino)-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one

AG00ABT8

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CAS Number	1523406-39-4
Catalog Number	AG00ABT8(AGN-PC-0WCSO2)
Chemical Name	(S)-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	(8S)-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-DOMZBBRYSA-N
MDL Number	MFCD28411361
Molecular Formula	C19H21ClF3N5O2
Molecular Weight	443.8505
SMILES	O=C1C=C(N2[C@H](C)COCC2)N=C3N(CC4=CC(Cl)=CN=C4)[C@H](C(F)(F)F)CCN31
Synonyms	SAR405, SAR405, 1523406-39-4, SAR-405, (S)-1-((5-chloropyridin-3-yl)methyl)-8-((R)-3-methylmorpholino)-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one, CHEMBL3622372, AK173778, GTPL9353, SCHEMBL16736080, EX-A2522, KS-00001CY1, BDBM50121212, MFCD28411361, s7682, ZINC210829934, CS-5756, SB17106, NCGC00381477-07, HY-12481, (8S)-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, 1TT, A8883, (8s)-9-[(5-Chloranylpyridin-3-Yl)methyl]-2-[(3r)-3-Methylmorpholin-4-Yl]-8-(Trifluoromethyl)-6,7,8,9a-Tetrahydro-3h-Pyrimido[1,2-A]pyrimidin-4-One,

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 Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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