3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane

C10H11Cl2N3O — CID 86665879

IUPAC3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESClc1cc(N2CC3CCC(C2)O3)nc(Cl)n1
InChIInChI=1S/C10H11Cl2N3O/c11-8-3-9(14-10(12)13-8)15-4-6-1-2-7(5-15)16-6/h3,6-7H,1-2,4-5H2
InChIKeySCRDIMUXOQUODN-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.15
Rot. Bonds1

About 3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 86665879) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is 3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID86665879
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESClc1cc(N2CC3CCC(C2)O3)nc(Cl)n1
InChIInChI=1S/C10H11Cl2N3O/c11-8-3-9(14-10(12)13-8)15-4-6-1-2-7(5-15)16-6/h3,6-7H,1-2,4-5H2
InChIKeySCRDIMUXOQUODN-UHFFFAOYSA-N
XLogP2.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 86665879) is 3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane is Clc1cc(N2CC3CCC(C2)O3)nc(Cl)n1.
What is the InChIKey of 3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is SCRDIMUXOQUODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O/c11-8-3-9(14-10(12)13-8)15-4-6-1-2-7(5-15)16-6/h3,6-7H,1-2,4-5H2.
What are the key properties of 3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 260.12 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 86665879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).