2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone

C18H20FN3O2 — CID 125024352

IUPAC2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCO[C@@H](CCc2ccncn2)C1
InChIInChI=1S/C18H20FN3O2/c19-15-3-1-2-14(10-15)11-18(23)22-8-9-24-17(12-22)5-4-16-6-7-20-13-21-16/h1-3,6-7,10,13,17H,4-5,8-9,11-12H2/t17-/m0/s1
InChIKeyZEXIVJDFUPFYON-KRWDZBQOSA-N
MW329.38 g/mol
LogP2.02
Rot. Bonds5

About 2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone

2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone (PubChem CID 125024352) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
PubChem CID125024352
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCO[C@@H](CCc2ccncn2)C1
InChIInChI=1S/C18H20FN3O2/c19-15-3-1-2-14(10-15)11-18(23)22-8-9-24-17(12-22)5-4-16-6-7-20-13-21-16/h1-3,6-7,10,13,17H,4-5,8-9,11-12H2/t17-/m0/s1
InChIKeyZEXIVJDFUPFYON-KRWDZBQOSA-N
XLogP2.02
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 124940249
3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one
CID 124972560
1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 125003001
2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81209303
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124997143
[3-(methoxymethyl)phenyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110119032
pyrimidin-2-yl-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124961131
2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 155983401
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 125005930
[1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116390
[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986519
[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986520

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone (CID 125024352) is 2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCO[C@@H](CCc2ccncn2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone?
The InChIKey is ZEXIVJDFUPFYON-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-3-1-2-14(10-15)11-18(23)22-8-9-24-17(12-22)5-4-16-6-7-20-13-21-16/h1-3,6-7,10,13,17H,4-5,8-9,11-12H2/t17-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone?
2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone has a molecular weight of 329.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 125024352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).