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

C19H22FN3O2 — CID 124972560

IUPAC3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCO[C@@H](CCc2ccncn2)C1
InChIInChI=1S/C19H22FN3O2/c20-18-4-2-1-3-15(18)5-8-19(24)23-11-12-25-17(13-23)7-6-16-9-10-21-14-22-16/h1-4,9-10,14,17H,5-8,11-13H2/t17-/m0/s1
InChIKeyKEABQKVURPWARY-KRWDZBQOSA-N
MW343.40 g/mol
LogP2.41
Rot. Bonds6

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

3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one (PubChem CID 124972560) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one
PubChem CID124972560
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCO[C@@H](CCc2ccncn2)C1
InChIInChI=1S/C19H22FN3O2/c20-18-4-2-1-3-15(18)5-8-19(24)23-11-12-25-17(13-23)7-6-16-9-10-21-14-22-16/h1-4,9-10,14,17H,5-8,11-13H2/t17-/m0/s1
InChIKeyKEABQKVURPWARY-KRWDZBQOSA-N
XLogP2.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137030447
2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 125024352
[1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116390
pyrimidin-2-yl-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124961131
1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 42462570
1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 125003001
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 124940249
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 125005930
[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986520
[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986519
(3-fluoro-4-methoxyphenyl)-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124944270
(2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116322

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one (CID 124972560) is 3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one is O=C(CCc1ccccc1F)N1CCO[C@@H](CCc2ccncn2)C1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one?
The InChIKey is KEABQKVURPWARY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-18-4-2-1-3-15(18)5-8-19(24)23-11-12-25-17(13-23)7-6-16-9-10-21-14-22-16/h1-4,9-10,14,17H,5-8,11-13H2/t17-/m0/s1.
What are the key properties of 3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one?
3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one has a molecular weight of 343.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124972560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).