2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one

C11H15N3O — CID 174801313

IUPAC2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C23CCCC(CC2)N3)[nH]1
InChIInChI=1S/C11H15N3O/c15-9-4-7-12-10(13-9)11-5-1-2-8(14-11)3-6-11/h4,7-8,14H,1-3,5-6H2,(H,12,13,15)
InChIKeyCEHIRCLDIODIRW-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.90
Rot. Bonds1

About 2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one

2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one (PubChem CID 174801313) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one
PubChem CID174801313
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C23CCCC(CC2)N3)[nH]1
InChIInChI=1S/C11H15N3O/c15-9-4-7-12-10(13-9)11-5-1-2-8(14-11)3-6-11/h4,7-8,14H,1-3,5-6H2,(H,12,13,15)
InChIKeyCEHIRCLDIODIRW-UHFFFAOYSA-N
XLogP0.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 57306466
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 112680552

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one (CID 174801313) is 2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one is O=c1ccnc(C23CCCC(CC2)N3)[nH]1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one?
The InChIKey is CEHIRCLDIODIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-9-4-7-12-10(13-9)11-5-1-2-8(14-11)3-6-11/h4,7-8,14H,1-3,5-6H2,(H,12,13,15).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one?
2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one has a molecular weight of 205.26 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 174801313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).