(8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C22H25F3N4O3 — CID 118091602

IUPAC(8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1COC[C@H](C)N1c1cc(=O)n2c(n1)N(CC(=O)c1ccccc1)[C@H](C(F)(F)F)CC2
InChIInChI=1S/C22H25F3N4O3/c1-14-12-32-13-15(2)29(14)19-10-20(31)27-9-8-18(22(23,24)25)28(21(27)26-19)11-17(30)16-6-4-3-5-7-16/h3-7,10,14-15,18H,8-9,11-13H2,1-2H3/t14-,15-,18-/m0/s1
InChIKeyBLSGAYFJZWALJD-MPGHIAIKSA-N
MW450.46 g/mol
LogP2.88
Rot. Bonds4

About (8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

(8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091602) has the molecular formula C22H25F3N4O3 and a molecular weight of 450.46 g/mol. Its IUPAC name is (8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091602
Molecular FormulaC22H25F3N4O3
Molecular Weight450.46 g/mol
Exact Mass450.19
IUPAC Name(8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1COC[C@H](C)N1c1cc(=O)n2c(n1)N(CC(=O)c1ccccc1)[C@H](C(F)(F)F)CC2
InChIInChI=1S/C22H25F3N4O3/c1-14-12-32-13-15(2)29(14)19-10-20(31)27-9-8-18(22(23,24)25)28(21(27)26-19)11-17(30)16-6-4-3-5-7-16/h3-7,10,14-15,18H,8-9,11-13H2,1-2H3/t14-,15-,18-/m0/s1
InChIKeyBLSGAYFJZWALJD-MPGHIAIKSA-N
XLogP2.88
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8S)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72709292
(8S)-9-[2-(3,4-difluorophenyl)-2-oxoethyl]-2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72710039
4-[2-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-9-yl]acetyl]benzonitrile
CID 72710120
(8S)-9-[2-(2,4-difluorophenyl)-2-oxoethyl]-2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72710207
3-[2-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-9-yl]acetyl]benzonitrile
CID 118194396
6-(3,4-Difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135963111
(8S)-2-morpholin-4-yl-9-(2-phenylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 49853887
(8S)-9-benzyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 49853888
(8S)-2-morpholin-4-yl-9-[(1R)-1-phenylethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 49853892
(8S)-9-[(1R)-1-(3-fluorophenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 49854088
(S)-9-benzoyl-2-morpholin-4-yl-8-trifluoromethyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 49854090
(8S)-9-[(2-fluorophenyl)carbonyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 49854297

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of (8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091602) is (8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is C[C@H]1COC[C@H](C)N1c1cc(=O)n2c(n1)N(CC(=O)c1ccccc1)[C@H](C(F)(F)F)CC2.
What is the InChIKey of (8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is BLSGAYFJZWALJD-MPGHIAIKSA-N. The full InChI is InChI=1S/C22H25F3N4O3/c1-14-12-32-13-15(2)29(14)19-10-20(31)27-9-8-18(22(23,24)25)28(21(27)26-19)11-17(30)16-6-4-3-5-7-16/h3-7,10,14-15,18H,8-9,11-13H2,1-2H3/t14-,15-,18-/m0/s1.
What are the key properties of (8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
(8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 450.46 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).