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

C17H20FN3O2 — CID 157218899

IUPAC2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine
SMILESCCOc1cnc(Cc2ccc(C3CNCCO3)cc2F)nc1
InChIInChI=1S/C17H20FN3O2/c1-2-22-14-9-20-17(21-10-14)8-12-3-4-13(7-15(12)18)16-11-19-5-6-23-16/h3-4,7,9-10,16,19H,2,5-6,8,11H2,1H3
InChIKeyASTBEDLGIIDIKL-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.27
Rot. Bonds5

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

2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine (PubChem CID 157218899) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine.

Molecular Properties

Compound Name2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine
PubChem CID157218899
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine
SMILESCCOc1cnc(Cc2ccc(C3CNCCO3)cc2F)nc1
InChIInChI=1S/C17H20FN3O2/c1-2-22-14-9-20-17(21-10-14)8-12-3-4-13(7-15(12)18)16-11-19-5-6-23-16/h3-4,7,9-10,16,19H,2,5-6,8,11H2,1H3
InChIKeyASTBEDLGIIDIKL-UHFFFAOYSA-N
XLogP2.27
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine
CID 161245616
5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-ethoxy-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 158155601
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine
CID 117446560
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
5-bromo-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-bromo-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 159579363
(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine
CID 147052117
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 158357613
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine
CID 82292465

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine?
The IUPAC name of 2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine (CID 157218899) is 2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine.
What is the SMILES notation for 2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine?
The canonical SMILES for 2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine is CCOc1cnc(Cc2ccc(C3CNCCO3)cc2F)nc1.
What is the InChIKey of 2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine?
The InChIKey is ASTBEDLGIIDIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-2-22-14-9-20-17(21-10-14)8-12-3-4-13(7-15(12)18)16-11-19-5-6-23-16/h3-4,7,9-10,16,19H,2,5-6,8,11H2,1H3.
What are the key properties of 2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine?
2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine has a molecular weight of 317.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine is sourced from PubChem (CID 157218899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).