4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine

C18H22FN3O — CID 45197160

IUPAC4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
SMILESCCc1ncc(CN2CCOC(Cc3cccc(F)c3)C2)cn1
InChIInChI=1S/C18H22FN3O/c1-2-18-20-10-15(11-21-18)12-22-6-7-23-17(13-22)9-14-4-3-5-16(19)8-14/h3-5,8,10-11,17H,2,6-7,9,12-13H2,1H3
InChIKeyMHKHXRZKPOUJGZ-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.62
Rot. Bonds5

About 4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine

4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine (PubChem CID 45197160) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
PubChem CID45197160
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
SMILESCCc1ncc(CN2CCOC(Cc3cccc(F)c3)C2)cn1
InChIInChI=1S/C18H22FN3O/c1-2-18-20-10-15(11-21-18)12-22-6-7-23-17(13-22)9-14-4-3-5-16(19)8-14/h3-5,8,10-11,17H,2,6-7,9,12-13H2,1H3
InChIKeyMHKHXRZKPOUJGZ-UHFFFAOYSA-N
XLogP2.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine
CID 95552056
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
(2R)-2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine
CID 95135538
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726
2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine
CID 45237362
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine
CID 102604304
1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone
CID 29023713
4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine
CID 67073026
4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide
CID 45206506

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine?
The IUPAC name of 4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine (CID 45197160) is 4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine.
What is the SMILES notation for 4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine?
The canonical SMILES for 4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine is CCc1ncc(CN2CCOC(Cc3cccc(F)c3)C2)cn1.
What is the InChIKey of 4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine?
The InChIKey is MHKHXRZKPOUJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-2-18-20-10-15(11-21-18)12-22-6-7-23-17(13-22)9-14-4-3-5-16(19)8-14/h3-5,8,10-11,17H,2,6-7,9,12-13H2,1H3.
What are the key properties of 4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine?
4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine has a molecular weight of 315.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 45197160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).