1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone

C18H20FN3O3 — CID 110116012

IUPAC1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
SMILESCc1cc(C2CN(C(=O)COc3ccc(F)cc3)CCO2)nc(C)n1
InChIInChI=1S/C18H20FN3O3/c1-12-9-16(21-13(2)20-12)17-10-22(7-8-24-17)18(23)11-25-15-5-3-14(19)4-6-15/h3-6,9,17H,7-8,10-11H2,1-2H3
InChIKeyWBPGZDJIFGMIHR-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.21
Rot. Bonds4

About 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone

1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 110116012) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID110116012
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
SMILESCc1cc(C2CN(C(=O)COc3ccc(F)cc3)CCO2)nc(C)n1
InChIInChI=1S/C18H20FN3O3/c1-12-9-16(21-13(2)20-12)17-10-22(7-8-24-17)18(23)11-25-15-5-3-14(19)4-6-15/h3-6,9,17H,7-8,10-11H2,1-2H3
InChIKeyWBPGZDJIFGMIHR-UHFFFAOYSA-N
XLogP2.21
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 125012935
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 124984679
1-[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 125017373
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
2-(4-fluorophenoxy)-1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 71928752
2-(4-fluorophenoxy)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663787
1-[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 110113412
2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid
CID 171688308
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369
1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110115964
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124945971
2-[4-(4-fluorobenzoyl)phenoxy]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 30036278

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone (CID 110116012) is 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone is Cc1cc(C2CN(C(=O)COc3ccc(F)cc3)CCO2)nc(C)n1.
What is the InChIKey of 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is WBPGZDJIFGMIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-9-16(21-13(2)20-12)17-10-22(7-8-24-17)18(23)11-25-15-5-3-14(19)4-6-15/h3-6,9,17H,7-8,10-11H2,1-2H3.
What are the key properties of 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone?
1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 345.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 110116012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).