3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine

C11H15FN4 — CID 129216597

IUPAC3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESNC1C2CCC1CN(c1ncncc1F)C2
InChIInChI=1S/C11H15FN4/c12-9-3-14-6-15-11(9)16-4-7-1-2-8(5-16)10(7)13/h3,6-8,10H,1-2,4-5,13H2
InChIKeyPZWACQZOWUJAGU-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.79
Rot. Bonds1

About 3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine

3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 129216597) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID129216597
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESNC1C2CCC1CN(c1ncncc1F)C2
InChIInChI=1S/C11H15FN4/c12-9-3-14-6-15-11(9)16-4-7-1-2-8(5-16)10(7)13/h3,6-8,10H,1-2,4-5,13H2
InChIKeyPZWACQZOWUJAGU-UHFFFAOYSA-N
XLogP0.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of 3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine (CID 129216597) is 3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for 3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for 3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine is NC1C2CCC1CN(c1ncncc1F)C2.
What is the InChIKey of 3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is PZWACQZOWUJAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4/c12-9-3-14-6-15-11(9)16-4-7-1-2-8(5-16)10(7)13/h3,6-8,10H,1-2,4-5,13H2.
What are the key properties of 3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine?
3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 222.27 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 129216597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).