5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C18H20FN3O3 — CID 135930631

IUPAC5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C18H20FN3O3/c1-11-15(18(24)21-12(2)20-11)9-17(23)22-7-8-25-16(10-22)13-3-5-14(19)6-4-13/h3-6,16H,7-10H2,1-2H3,(H,20,21,24)/t16-/m1/s1
InChIKeyLZBWNSBOQWCZTK-MRXNPFEDSA-N
MW345.37 g/mol
LogP1.67
Rot. Bonds3

About 5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135930631) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135930631
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C18H20FN3O3/c1-11-15(18(24)21-12(2)20-11)9-17(23)22-7-8-25-16(10-22)13-3-5-14(19)6-4-13/h3-6,16H,7-10H2,1-2H3,(H,20,21,24)/t16-/m1/s1
InChIKeyLZBWNSBOQWCZTK-MRXNPFEDSA-N
XLogP1.67
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2,4-dimethyl-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]-1H-pyrimidin-6-one
CID 136882935
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 134044274
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
2,4-dimethyl-5-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136903624
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
2,4-dimethyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 135933971
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
4-[(3S)-1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]benzoic acid
CID 136804322
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 134044387
5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136911228

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 135930631) is 5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]1.
What is the InChIKey of 5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is LZBWNSBOQWCZTK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-11-15(18(24)21-12(2)20-11)9-17(23)22-7-8-25-16(10-22)13-3-5-14(19)6-4-13/h3-6,16H,7-10H2,1-2H3,(H,20,21,24)/t16-/m1/s1.
What are the key properties of 5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 345.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135930631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).