2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone

C17H18FN3O3 — CID 110115486

IUPAC2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
SMILESCc1ccnc(C2CN(C(=O)COc3ccccc3F)CCO2)n1
InChIInChI=1S/C17H18FN3O3/c1-12-6-7-19-17(20-12)15-10-21(8-9-23-15)16(22)11-24-14-5-3-2-4-13(14)18/h2-7,15H,8-11H2,1H3
InChIKeyPVKUUMIHHPPHGB-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.90
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone

2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone (PubChem CID 110115486) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
PubChem CID110115486
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
SMILESCc1ccnc(C2CN(C(=O)COc3ccccc3F)CCO2)n1
InChIInChI=1S/C17H18FN3O3/c1-12-6-7-19-17(20-12)15-10-21(8-9-23-15)16(22)11-24-14-5-3-2-4-13(14)18/h2-7,15H,8-11H2,1H3
InChIKeyPVKUUMIHHPPHGB-UHFFFAOYSA-N
XLogP1.90
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.90
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-(2-fluorophenoxy)ethanone
CID 124984679
2-(2-fluorophenoxy)-1-[(2R)-2-(5-methyl-2-pyridinyl)morpholin-4-yl]ethanone
CID 124977367
1-[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 110113412
2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145675
4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030403
2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 124989078
1-[(2S)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 97106593
3-(2-fluorophenoxy)-1-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 124957103
(5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 124963745
1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124975891
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-1-one
CID 124989348
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 110115520

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone (CID 110115486) is 2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone is Cc1ccnc(C2CN(C(=O)COc3ccccc3F)CCO2)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone?
The InChIKey is PVKUUMIHHPPHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-12-6-7-19-17(20-12)15-10-21(8-9-23-15)16(22)11-24-14-5-3-2-4-13(14)18/h2-7,15H,8-11H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone?
2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone has a molecular weight of 331.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 110115486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).