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

C17H18FN3O4 — CID 137030403

IUPAC4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)cc(=O)[nH]1
InChIInChI=1S/C17H18FN3O4/c1-11-19-13(8-16(22)20-11)15-9-21(6-7-24-15)17(23)10-25-14-5-3-2-4-12(14)18/h2-5,8,15H,6-7,9-10H2,1H3,(H,19,20,22)/t15-/m0/s1
InChIKeyGNIUTNUFNFFROH-HNNXBMFYSA-N
MW347.35 g/mol
LogP1.20
Rot. Bonds4

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

4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137030403) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137030403
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)cc(=O)[nH]1
InChIInChI=1S/C17H18FN3O4/c1-11-19-13(8-16(22)20-11)15-9-21(6-7-24-15)17(23)10-25-14-5-3-2-4-12(14)18/h2-5,8,15H,6-7,9-10H2,1H3,(H,19,20,22)/t15-/m0/s1
InChIKeyGNIUTNUFNFFROH-HNNXBMFYSA-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

2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145675
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 124984679
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
4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030382
4-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]-4-oxobutanoic acid
CID 137145712
4-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]-4-oxobutanoic acid
CID 136844422
1-[(2S)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 97106593
4-[4-(5-fluoro-2-methoxybenzoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844530
4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137052908
2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 124989078

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (CID 137030403) is 4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is GNIUTNUFNFFROH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-11-19-13(8-16(22)20-11)15-9-21(6-7-24-15)17(23)10-25-14-5-3-2-4-12(14)18/h2-5,8,15H,6-7,9-10H2,1H3,(H,19,20,22)/t15-/m0/s1.
What are the key properties of 4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-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 4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137030403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).