2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one

C20H21F3N4O2 — CID 57345686

IUPAC2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1c(Cn2c(C)cn3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyUOYCMRSNQQOELB-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.02
Rot. Bonds3

About 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one

2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 57345686) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID57345686
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1c(Cn2c(C)cn3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyUOYCMRSNQQOELB-UHFFFAOYSA-N
XLogP3.02
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
CID 57403581
2-Methyl-5-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 60150509
5-(2-Methylmorpholin-4-yl)-2-methylsulfanyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70681262
2-Methylsulfanyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70685442
2-Methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70689639
1-[(4-Fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57391362
1-(2-Methyl-3-(trifluoromethyl)benzyl)-7-morpholinoimidazo[1,2-a]pyrimidin-5(1H)-one
CID 57391365
7-(2-Methylmorpholin-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
CID 57391367
7-[(2S)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
CID 57394864
7-Morpholino-1-(naphthalen-1-ylmethyl)imidazo[1,2-a]pyrimidin-5(1H)-one
CID 57396625
7-Morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
CID 57396626
7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
CID 57396628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 57345686) is 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is Cc1c(Cn2c(C)cn3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is UOYCMRSNQQOELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3.
What are the key properties of 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 406.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57345686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).