| CAS Number | 1523404-29-6 |
| Catalog Number | AG00HXYN(AGN-PC-0WCMXN) |
| Chemical Name | (S)-1-(3-Methyl-2-oxobutyl)-8-((R)-3-methylmorpholino)-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one |
| IUPAC Name | (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one |
| InChI | InChI=1S/C18H25F3N4O3/c1-11(2)13(26)9-25-14(18(19,20)21)4-5-24-16(27)8-15(22-17(24)25)23-6-7-28-10-12(23)3/h8,11-12,14H,4-7,9-10H2,1-3H3/t12-,14+/m1/s1 |
| InChI Key | ITCIAOUZMPREOO-OCCSQVGLSA-N |
| MDL Number | MFCD28411355 |
| Molecular Formula | C18H25F3N4O3 |
| Molecular Weight | 402.4113 |
| SMILES | O=C1C=C(N2[C@H](C)COCC2)N=C3N(CC(C(C)C)=O)[C@H](C(F)(F)F)CCN31 |
| Synonyms | 1523404-29-6,
Vps34-IN-2,
(S)-1-(3-Methyl-2-oxobutyl)-8-((R)-3-methylmorpholino)-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one,
(8s)-2-[(3r)-3-Methylmorpholin-4-Yl]-9-(3-Methyl-2-Oxobutyl)-8-(Trifluoromethyl)-6,7,8,9-Tetrahydro-4h-Pyrimido[1,2-A]pyrimidin-4-One,
AK174883,
SCHEMBL16736068,
AKOS025404897,
ZINC210833955,
CS-8063,
HY-12473,
A16933,
7A5,
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| Complexity | 705 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 402.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 402.418g/mol |
| Monoisotopic Mass | 402.188g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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