5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C18H20FN3O3 — CID 136988459

IUPAC5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CC(OCc3ccccc3F)C2)c(=O)[nH]1
InChIInChI=1S/C18H20FN3O3/c1-11-15(18(24)21-12(2)20-11)7-17(23)22-8-14(9-22)25-10-13-5-3-4-6-16(13)19/h3-6,14H,7-10H2,1-2H3,(H,20,21,24)
InChIKeyPGDXGWNLPYULCJ-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.50
Rot. Bonds5

About 5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136988459) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136988459
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CC(OCc3ccccc3F)C2)c(=O)[nH]1
InChIInChI=1S/C18H20FN3O3/c1-11-15(18(24)21-12(2)20-11)7-17(23)22-8-14(9-22)25-10-13-5-3-4-6-16(13)19/h3-6,14H,7-10H2,1-2H3,(H,20,21,24)
InChIKeyPGDXGWNLPYULCJ-UHFFFAOYSA-N
XLogP1.50
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2,4-dimethyl-5-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 135881334
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419
2,4-dimethyl-5-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136903624
5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136911228
5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 70771545
2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136670243
5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757579
5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135930631
5-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757578
2,4-dimethyl-5-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136870617
2,4-dimethyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 135933971
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]ethanone
CID 118788141

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136988459) is 5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(CC(=O)N2CC(OCc3ccccc3F)C2)c(=O)[nH]1.
What is the InChIKey of 5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is PGDXGWNLPYULCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-11-15(18(24)21-12(2)20-11)7-17(23)22-8-14(9-22)25-10-13-5-3-4-6-16(13)19/h3-6,14H,7-10H2,1-2H3,(H,20,21,24).
What are the key properties of 5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 345.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136988459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).