4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one

C22H19F2N3O4 — CID 90023277

IUPAC4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one
SMILESCc1cc(=O)n(-c2ccc(N3CCOCC3=O)c(F)c2)c(COc2cccc(F)c2)n1
InChIInChI=1S/C22H19F2N3O4/c1-14-9-21(28)27(20(25-14)12-31-17-4-2-3-15(23)10-17)16-5-6-19(18(24)11-16)26-7-8-30-13-22(26)29/h2-6,9-11H,7-8,12-13H2,1H3
InChIKeyCSLJEYKDBNMUII-UHFFFAOYSA-N
MW427.41 g/mol
LogP2.76
Rot. Bonds5

About 4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one

4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one (PubChem CID 90023277) has the molecular formula C22H19F2N3O4 and a molecular weight of 427.41 g/mol. Its IUPAC name is 4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one
PubChem CID90023277
Molecular FormulaC22H19F2N3O4
Molecular Weight427.41 g/mol
Exact Mass427.13
IUPAC Name4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one
SMILESCc1cc(=O)n(-c2ccc(N3CCOCC3=O)c(F)c2)c(COc2cccc(F)c2)n1
InChIInChI=1S/C22H19F2N3O4/c1-14-9-21(28)27(20(25-14)12-31-17-4-2-3-15(23)10-17)16-5-6-19(18(24)11-16)26-7-8-30-13-22(26)29/h2-6,9-11H,7-8,12-13H2,1H3
InChIKeyCSLJEYKDBNMUII-UHFFFAOYSA-N
XLogP2.76
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chloro-4-morpholin-4-ylphenyl)-2-[(3-iodophenoxy)methyl]-6-methylpyrimidin-4-one
CID 137402511
2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one
CID 160686695
4-(2-fluoro-4-methylphenyl)morpholin-3-one
CID 58845389
3-[4-[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]-3-methylphenyl]-2,6-dimethylpyrimidin-4-one
CID 134268104
1-(4-fluoro-3-methylphenyl)-4-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 126780599
4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one
CID 165482189
1-(4-ethylphenyl)-4-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 126781592
2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188387
[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid
CID 91539862
3-[3-(3-fluorophenoxy)propyl]-6-methyl-2-piperazin-1-ylpyrimidin-4-one
CID 45484812
4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one
CID 130243317
1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 67011889

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one?
The IUPAC name of 4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one (CID 90023277) is 4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one is Cc1cc(=O)n(-c2ccc(N3CCOCC3=O)c(F)c2)c(COc2cccc(F)c2)n1.
What is the InChIKey of 4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one?
The InChIKey is CSLJEYKDBNMUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O4/c1-14-9-21(28)27(20(25-14)12-31-17-4-2-3-15(23)10-17)16-5-6-19(18(24)11-16)26-7-8-30-13-22(26)29/h2-6,9-11H,7-8,12-13H2,1H3.
What are the key properties of 4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one?
4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one has a molecular weight of 427.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one is sourced from PubChem (CID 90023277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).