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

C16H18FN3O — CID 102604304

IUPAC2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine
SMILESCc1nccc(N2CCOC(Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C16H18FN3O/c1-12-18-6-5-16(19-12)20-7-8-21-15(11-20)10-13-3-2-4-14(17)9-13/h2-6,9,15H,7-8,10-11H2,1H3
InChIKeyABLFTFPUVYXTLG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.37
Rot. Bonds3

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

2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine (PubChem CID 102604304) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine
PubChem CID102604304
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine
SMILESCc1nccc(N2CCOC(Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C16H18FN3O/c1-12-18-6-5-16(19-12)20-7-8-21-15(11-20)10-13-3-2-4-14(17)9-13/h2-6,9,15H,7-8,10-11H2,1H3
InChIKeyABLFTFPUVYXTLG-UHFFFAOYSA-N
XLogP2.37
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-methoxyphenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine
CID 124990787
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726
4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 45197160
5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine
CID 95552056
(2R)-2-(fluoromethyl)-4-(6-methyl-2-pyridinyl)morpholine
CID 129348618
2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine
CID 132775431
4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine
CID 45197477
1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
CID 124952778
4-[2-[4-(6-methyl-2-pyridinyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 110113915
(2R)-2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine
CID 95135538
(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45238113
(2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine
CID 95551475

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine (CID 102604304) is 2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine is Cc1nccc(N2CCOC(Cc3cccc(F)c3)C2)n1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine?
The InChIKey is ABLFTFPUVYXTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-12-18-6-5-16(19-12)20-7-8-21-15(11-20)10-13-3-2-4-14(17)9-13/h2-6,9,15H,7-8,10-11H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine?
2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine has a molecular weight of 287.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 102604304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).