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

C17H17FN4O2 — CID 57401867

IUPAC1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCOCC2)nc2n(Cc3cccc(F)c3)ccn12
InChIInChI=1S/C17H17FN4O2/c18-14-3-1-2-13(10-14)12-21-4-5-22-16(23)11-15(19-17(21)22)20-6-8-24-9-7-20/h1-5,10-11H,6-9,12H2
InChIKeyURLLKDURBUJMEL-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.52
Rot. Bonds3

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

1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 57401867) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID57401867
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCOCC2)nc2n(Cc3cccc(F)c3)ccn12
InChIInChI=1S/C17H17FN4O2/c18-14-3-1-2-13(10-14)12-21-4-5-22-16(23)11-15(19-17(21)22)20-6-8-24-9-7-20/h1-5,10-11H,6-9,12H2
InChIKeyURLLKDURBUJMEL-UHFFFAOYSA-N
XLogP1.52
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
7-Morpholino-1-(naphthalen-1-ylmethyl)imidazo[1,2-a]pyrimidin-5(1H)-one
CID 57396625
1-(2-Methylbenzyl)-7-morpholinoimidazo[1,2-a]pyrimidin-5(1H)-one
CID 57398391
1-[(3-Methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57398392
3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 4621937
1-[(4-Fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57391362
1-[(2-Chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57391363
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-Morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
CID 57396626

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 57401867) is 1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is O=c1cc(N2CCOCC2)nc2n(Cc3cccc(F)c3)ccn12.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is URLLKDURBUJMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-14-3-1-2-13(10-14)12-21-4-5-22-16(23)11-15(19-17(21)22)20-6-8-24-9-7-20/h1-5,10-11H,6-9,12H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 328.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57401867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).