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

C21H23F3N4O2 — CID 57400062

IUPAC2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1c(Cn2c(C)c(C)n3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C21H23F3N4O2/c1-13-16(5-4-6-17(13)21(22,23)24)12-27-14(2)15(3)28-19(29)11-18(25-20(27)28)26-7-9-30-10-8-26/h4-6,11H,7-10,12H2,1-3H3
InChIKeyOPPWXPBWFXJSQN-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.32
Rot. Bonds3

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

2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 57400062) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID57400062
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1c(Cn2c(C)c(C)n3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C21H23F3N4O2/c1-13-16(5-4-6-17(13)21(22,23)24)12-27-14(2)15(3)28-19(29)11-18(25-20(27)28)26-7-9-30-10-8-26/h4-6,11H,7-10,12H2,1-3H3
InChIKeyOPPWXPBWFXJSQN-UHFFFAOYSA-N
XLogP3.32
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-3-(2-methyl-3-(trifluoromethyl)benzyl)-5-morpholinopyrazolo[1,5-a]pyrimidin-7-ol
CID 71270831
2-Methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57345686
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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 57400062) is 2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is Cc1c(Cn2c(C)c(C)n3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is OPPWXPBWFXJSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-13-16(5-4-6-17(13)21(22,23)24)12-27-14(2)15(3)28-19(29)11-18(25-20(27)28)26-7-9-30-10-8-26/h4-6,11H,7-10,12H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 420.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57400062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).