1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone

C18H20FN3O3 — CID 124984679

IUPAC1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
SMILESCc1cc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)nc(C)n1
InChIInChI=1S/C18H20FN3O3/c1-12-9-15(21-13(2)20-12)17-10-22(7-8-24-17)18(23)11-25-16-6-4-3-5-14(16)19/h3-6,9,17H,7-8,10-11H2,1-2H3/t17-/m0/s1
InChIKeyNMMSKHPQDNFCKD-KRWDZBQOSA-N
MW345.37 g/mol
LogP2.21
Rot. Bonds4

About 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone

1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone (PubChem CID 124984679) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
PubChem CID124984679
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
SMILESCc1cc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)nc(C)n1
InChIInChI=1S/C18H20FN3O3/c1-12-9-15(21-13(2)20-12)17-10-22(7-8-24-17)18(23)11-25-16-6-4-3-5-14(16)19/h3-6,9,17H,7-8,10-11H2,1-2H3/t17-/m0/s1
InChIKeyNMMSKHPQDNFCKD-KRWDZBQOSA-N
XLogP2.21
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 110113412
1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 110116012
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 125012935
2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145675
4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030403
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
1-[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 125017373
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
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-1-one
CID 124989348
(E)-1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 124945662

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone (CID 124984679) is 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone is Cc1cc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)nc(C)n1.
What is the InChIKey of 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone?
The InChIKey is NMMSKHPQDNFCKD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-9-15(21-13(2)20-12)17-10-22(7-8-24-17)18(23)11-25-16-6-4-3-5-14(16)19/h3-6,9,17H,7-8,10-11H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone?
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone has a molecular weight of 345.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 124984679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).