6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane

C11H14ClN3O — CID 170242483

IUPAC6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCN1CC2CC(Oc3ncc(Cl)cn3)C1C2
InChIInChI=1S/C11H14ClN3O/c1-15-6-7-2-9(15)10(3-7)16-11-13-4-8(12)5-14-11/h4-5,7,9-10H,2-3,6H2,1H3
InChIKeyKXNIVKAJXMGNAT-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.60
Rot. Bonds2

About 6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane

6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 170242483) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID170242483
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCN1CC2CC(Oc3ncc(Cl)cn3)C1C2
InChIInChI=1S/C11H14ClN3O/c1-15-6-7-2-9(15)10(3-7)16-11-13-4-8(12)5-14-11/h4-5,7,9-10H,2-3,6H2,1H3
InChIKeyKXNIVKAJXMGNAT-UHFFFAOYSA-N
XLogP1.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane (CID 170242483) is 6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane is CN1CC2CC(Oc3ncc(Cl)cn3)C1C2.
What is the InChIKey of 6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is KXNIVKAJXMGNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-15-6-7-2-9(15)10(3-7)16-11-13-4-8(12)5-14-11/h4-5,7,9-10H,2-3,6H2,1H3.
What are the key properties of 6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane?
6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 239.71 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloropyrimidin-2-yl)oxy-2-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 170242483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).