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

C12H15Cl2N3 — CID 112680581

IUPAC3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(c1nc(Cl)cc(Cl)n1)C2
InChIInChI=1S/C12H15Cl2N3/c1-17-8-2-3-9(17)5-7(4-8)12-15-10(13)6-11(14)16-12/h6-9H,2-5H2,1H3
InChIKeyIMGUXZSJIJCRTL-UHFFFAOYSA-N
MW272.18 g/mol
LogP3.12
Rot. Bonds1

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

3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 112680581) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID112680581
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(c1nc(Cl)cc(Cl)n1)C2
InChIInChI=1S/C12H15Cl2N3/c1-17-8-2-3-9(17)5-7(4-8)12-15-10(13)6-11(14)16-12/h6-9H,2-5H2,1H3
InChIKeyIMGUXZSJIJCRTL-UHFFFAOYSA-N
XLogP3.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane (CID 112680581) is 3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC(c1nc(Cl)cc(Cl)n1)C2.
What is the InChIKey of 3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is IMGUXZSJIJCRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3/c1-17-8-2-3-9(17)5-7(4-8)12-15-10(13)6-11(14)16-12/h6-9H,2-5H2,1H3.
What are the key properties of 3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 272.18 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dichloropyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112680581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).