2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

C17H18FN3O4 — CID 137145675

IUPAC2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1
InChIInChI=1S/C17H18FN3O4/c1-11-8-15(22)20-17(19-11)14-9-21(6-7-24-14)16(23)10-25-13-5-3-2-4-12(13)18/h2-5,8,14H,6-7,9-10H2,1H3,(H,19,20,22)/t14-/m1/s1
InChIKeyLJRNTPCLDCZSOQ-CQSZACIVSA-N
MW347.35 g/mol
LogP1.20
Rot. Bonds4

About 2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137145675) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137145675
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1
InChIInChI=1S/C17H18FN3O4/c1-11-8-15(22)20-17(19-11)14-9-21(6-7-24-14)16(23)10-25-13-5-3-2-4-12(13)18/h2-5,8,14H,6-7,9-10H2,1H3,(H,19,20,22)/t14-/m1/s1
InChIKeyLJRNTPCLDCZSOQ-CQSZACIVSA-N
XLogP1.20
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030403
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 124984679
2-[(2S)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137169800
1-[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 110113412
2-(2-fluorophenoxy)-1-[(2R)-2-(5-methyl-2-pyridinyl)morpholin-4-yl]ethanone
CID 124977367
2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 110115486
2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136844328
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
N-[2-[(2R)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 137131786
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 125012935
1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 110116012

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (CID 137145675) is 2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1.
What is the InChIKey of 2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LJRNTPCLDCZSOQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-11-8-15(22)20-17(19-11)14-9-21(6-7-24-14)16(23)10-25-13-5-3-2-4-12(13)18/h2-5,8,14H,6-7,9-10H2,1H3,(H,19,20,22)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 347.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137145675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).