3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane

C12H16BrN3O — CID 11197279

IUPAC3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(Oc1ncc(Br)cn1)C2
InChIInChI=1S/C12H16BrN3O/c1-16-9-2-3-10(16)5-11(4-9)17-12-14-6-8(13)7-15-12/h6-7,9-11H,2-5H2,1H3
InChIKeyLYYJGRINVAANEY-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.24
Rot. Bonds2

About 3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane

3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 11197279) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID11197279
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(Oc1ncc(Br)cn1)C2
InChIInChI=1S/C12H16BrN3O/c1-16-9-2-3-10(16)5-11(4-9)17-12-14-6-8(13)7-15-12/h6-7,9-11H,2-5H2,1H3
InChIKeyLYYJGRINVAANEY-UHFFFAOYSA-N
XLogP2.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane (CID 11197279) is 3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC(Oc1ncc(Br)cn1)C2.
What is the InChIKey of 3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is LYYJGRINVAANEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-16-9-2-3-10(16)5-11(4-9)17-12-14-6-8(13)7-15-12/h6-7,9-11H,2-5H2,1H3.
What are the key properties of 3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane?
3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 298.18 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyrimidin-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 11197279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).