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

C21H23F3N4O3 — CID 118091799

IUPAC2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1cc(=O)n2c(n1)N(CC(=O)c1ccccc1)C(C(F)(F)F)CC2
InChIInChI=1S/C21H23F3N4O3/c1-14-13-31-10-9-26(14)18-11-19(30)27-8-7-17(21(22,23)24)28(20(27)25-18)12-16(29)15-5-3-2-4-6-15/h2-6,11,14,17H,7-10,12-13H2,1H3
InChIKeyPOHOEKKZXFBLBA-UHFFFAOYSA-N
MW436.43 g/mol
LogP2.49
Rot. Bonds4

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

2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091799) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091799
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1cc(=O)n2c(n1)N(CC(=O)c1ccccc1)C(C(F)(F)F)CC2
InChIInChI=1S/C21H23F3N4O3/c1-14-13-31-10-9-26(14)18-11-19(30)27-8-7-17(21(22,23)24)28(20(27)25-18)12-16(29)15-5-3-2-4-6-15/h2-6,11,14,17H,7-10,12-13H2,1H3
InChIKeyPOHOEKKZXFBLBA-UHFFFAOYSA-N
XLogP2.49
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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 2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091799) is 2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC1COCCN1c1cc(=O)n2c(n1)N(CC(=O)c1ccccc1)C(C(F)(F)F)CC2.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is POHOEKKZXFBLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-14-13-31-10-9-26(14)18-11-19(30)27-8-7-17(21(22,23)24)28(20(27)25-18)12-16(29)15-5-3-2-4-6-15/h2-6,11,14,17H,7-10,12-13H2,1H3.
What are the key properties of 2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 436.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).