4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine

C16H18FN3O2 — CID 166632801

IUPAC4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine
SMILESFc1ccc(CCOc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C16H18FN3O2/c17-14-3-1-13(2-4-14)5-8-22-16-11-15(18-12-19-16)20-6-9-21-10-7-20/h1-4,11-12H,5-10H2
InChIKeyWQGZLNKHFHBAFO-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.07
Rot. Bonds5

About 4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine

4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine (PubChem CID 166632801) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine
PubChem CID166632801
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine
SMILESFc1ccc(CCOc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C16H18FN3O2/c17-14-3-1-13(2-4-14)5-8-22-16-11-15(18-12-19-16)20-6-9-21-10-7-20/h1-4,11-12H,5-10H2
InChIKeyWQGZLNKHFHBAFO-UHFFFAOYSA-N
XLogP2.07
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine (CID 166632801) is 4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine is Fc1ccc(CCOc2cc(N3CCOCC3)ncn2)cc1.
What is the InChIKey of 4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine?
The InChIKey is WQGZLNKHFHBAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-14-3-1-13(2-4-14)5-8-22-16-11-15(18-12-19-16)20-6-9-21-10-7-20/h1-4,11-12H,5-10H2.
What are the key properties of 4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine?
4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine has a molecular weight of 303.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 166632801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).