3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane

C11H14FN3O — CID 126953876

IUPAC3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane
SMILESFc1cnc(OC2CN3CCC2CC3)nc1
InChIInChI=1S/C11H14FN3O/c12-9-5-13-11(14-6-9)16-10-7-15-3-1-8(10)2-4-15/h5-6,8,10H,1-4,7H2
InChIKeyRIWRMSJHOAGMQK-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.09
Rot. Bonds2

About 3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane

3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane (PubChem CID 126953876) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane
PubChem CID126953876
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane
SMILESFc1cnc(OC2CN3CCC2CC3)nc1
InChIInChI=1S/C11H14FN3O/c12-9-5-13-11(14-6-9)16-10-7-15-3-1-8(10)2-4-15/h5-6,8,10H,1-4,7H2
InChIKeyRIWRMSJHOAGMQK-UHFFFAOYSA-N
XLogP1.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]oxy-1-azabicyclo[2.2.2]octane
CID 68810811
(3R)-3-[5-(3-chlorophenyl)pyrimidin-2-yl]oxy-1-azabicyclo[2.2.2]octane
CID 68810032
(3R)-3-[5-(3-methylphenyl)pyrimidin-2-yl]oxy-1-azabicyclo[2.2.2]octane
CID 68811155
(3R)-3-[5-(2-chloro-5-methylphenyl)pyrimidin-2-yl]oxy-1-azabicyclo[2.2.2]octane
CID 68810072
(3S)-3-(4-phenylpyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane
CID 68810173
(3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane
CID 141162884
(3S)-3-(2,6-dimethylphenoxy)-1-azabicyclo[2.2.2]octane
CID 100974214
[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane
CID 21072606
2-(1-azabicyclo[2.2.2]octan-3-yloxy)benzenethiol
CID 91565469
3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-phenyl-1,2,4-thiadiazole
CID 10334263
4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine
CID 90212138
4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-fluoroaniline
CID 28872657

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane (CID 126953876) is 3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane is Fc1cnc(OC2CN3CCC2CC3)nc1.
What is the InChIKey of 3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane?
The InChIKey is RIWRMSJHOAGMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-9-5-13-11(14-6-9)16-10-7-15-3-1-8(10)2-4-15/h5-6,8,10H,1-4,7H2.
What are the key properties of 3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane?
3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane has a molecular weight of 223.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 126953876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).