8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane

C13H19N3O — CID 126954192

IUPAC8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane
SMILESCc1ccnc(OC2CC3CCC(C2)N3C)n1
InChIInChI=1S/C13H19N3O/c1-9-5-6-14-13(15-9)17-12-7-10-3-4-11(8-12)16(10)2/h5-6,10-12H,3-4,7-8H2,1-2H3
InChIKeyMYUKKKSSKUJPPK-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.79
Rot. Bonds2

About 8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane

8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane (PubChem CID 126954192) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane
PubChem CID126954192
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane
SMILESCc1ccnc(OC2CC3CCC(C2)N3C)n1
InChIInChI=1S/C13H19N3O/c1-9-5-6-14-13(15-9)17-12-7-10-3-4-11(8-12)16(10)2/h5-6,10-12H,3-4,7-8H2,1-2H3
InChIKeyMYUKKKSSKUJPPK-UHFFFAOYSA-N
XLogP1.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane (CID 126954192) is 8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane is Cc1ccnc(OC2CC3CCC(C2)N3C)n1.
What is the InChIKey of 8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane?
The InChIKey is MYUKKKSSKUJPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-5-6-14-13(15-9)17-12-7-10-3-4-11(8-12)16(10)2/h5-6,10-12H,3-4,7-8H2,1-2H3.
What are the key properties of 8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane?
8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane has a molecular weight of 233.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 126954192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).