5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

C9H9Cl2N3O — CID 131048767

IUPAC5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESClc1cc(N2CC3CC2CO3)nc(Cl)n1
InChIInChI=1S/C9H9Cl2N3O/c10-7-2-8(13-9(11)12-7)14-3-6-1-5(14)4-15-6/h2,5-6H,1,3-4H2
InChIKeySXDTWMDTRRYAIK-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.76
Rot. Bonds1

About 5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 131048767) has the molecular formula C9H9Cl2N3O and a molecular weight of 246.10 g/mol. Its IUPAC name is 5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID131048767
Molecular FormulaC9H9Cl2N3O
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESClc1cc(N2CC3CC2CO3)nc(Cl)n1
InChIInChI=1S/C9H9Cl2N3O/c10-7-2-8(13-9(11)12-7)14-3-6-1-5(14)4-15-6/h2,5-6H,1,3-4H2
InChIKeySXDTWMDTRRYAIK-UHFFFAOYSA-N
XLogP1.76
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane 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 5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 131048767) is 5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is Clc1cc(N2CC3CC2CO3)nc(Cl)n1.
What is the InChIKey of 5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is SXDTWMDTRRYAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O/c10-7-2-8(13-9(11)12-7)14-3-6-1-5(14)4-15-6/h2,5-6H,1,3-4H2.
What are the key properties of 5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 246.10 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131048767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).