2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one

C11H15N3O — CID 169148552

IUPAC2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(C23CNC(C2)C3)[nH]c1=O
InChIInChI=1S/C11H15N3O/c1-2-7-5-12-10(14-9(7)15)11-3-8(4-11)13-6-11/h5,8,13H,2-4,6H2,1H3,(H,12,14,15)
InChIKeySBTYFOMYCBOHJR-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.34
Rot. Bonds2

About 2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one

2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one (PubChem CID 169148552) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one
PubChem CID169148552
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(C23CNC(C2)C3)[nH]c1=O
InChIInChI=1S/C11H15N3O/c1-2-7-5-12-10(14-9(7)15)11-3-8(4-11)13-6-11/h5,8,13H,2-4,6H2,1H3,(H,12,14,15)
InChIKeySBTYFOMYCBOHJR-UHFFFAOYSA-N
XLogP0.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one (CID 169148552) is 2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one is CCc1cnc(C23CNC(C2)C3)[nH]c1=O.
What is the InChIKey of 2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is SBTYFOMYCBOHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-7-5-12-10(14-9(7)15)11-3-8(4-11)13-6-11/h5,8,13H,2-4,6H2,1H3,(H,12,14,15).
What are the key properties of 2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one?
2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 205.26 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 169148552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).