3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane

C11H15N3 — CID 15750249

IUPAC3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane
SMILESc1ncc(C2CN3CCC2CC3)cn1
InChIInChI=1S/C11H15N3/c1-3-14-4-2-9(1)11(7-14)10-5-12-8-13-6-10/h5-6,8-9,11H,1-4,7H2
InChIKeyWOJRJTRJTGLEKS-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.29
Rot. Bonds1

About 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane

3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane (PubChem CID 15750249) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane
PubChem CID15750249
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane
SMILESc1ncc(C2CN3CCC2CC3)cn1
InChIInChI=1S/C11H15N3/c1-3-14-4-2-9(1)11(7-14)10-5-12-8-13-6-10/h5-6,8-9,11H,1-4,7H2
InChIKeyWOJRJTRJTGLEKS-UHFFFAOYSA-N
XLogP1.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane (CID 15750249) is 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane is c1ncc(C2CN3CCC2CC3)cn1.
What is the InChIKey of 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane?
The InChIKey is WOJRJTRJTGLEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-14-4-2-9(1)11(7-14)10-5-12-8-13-6-10/h5-6,8-9,11H,1-4,7H2.
What are the key properties of 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane?
3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane has a molecular weight of 189.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 15750249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).