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

C10H12BrN3O — CID 66370701

IUPAC3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESBrc1cnc(N2CC3CCC(C2)O3)nc1
InChIInChI=1S/C10H12BrN3O/c11-7-3-12-10(13-4-7)14-5-8-1-2-9(6-14)15-8/h3-4,8-9H,1-2,5-6H2
InChIKeyJMLTZBRFSNTBOX-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.61
Rot. Bonds1

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

3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66370701) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66370701
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESBrc1cnc(N2CC3CCC(C2)O3)nc1
InChIInChI=1S/C10H12BrN3O/c11-7-3-12-10(13-4-7)14-5-8-1-2-9(6-14)15-8/h3-4,8-9H,1-2,5-6H2
InChIKeyJMLTZBRFSNTBOX-UHFFFAOYSA-N
XLogP1.61
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromopyrimidin-2-yl)-8-oxa-3-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)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 66370701) is 3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane is Brc1cnc(N2CC3CCC(C2)O3)nc1.
What is the InChIKey of 3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is JMLTZBRFSNTBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c11-7-3-12-10(13-4-7)14-5-8-1-2-9(6-14)15-8/h3-4,8-9H,1-2,5-6H2.
What are the key properties of 3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 270.13 g/mol, XLogP of 1.61, 1 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)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66370701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).