3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol

C11H15N3O — CID 15750245

IUPAC3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2cncnc2)CN2CCC1CC2
InChIInChI=1S/C11H15N3O/c15-11(10-5-12-8-13-6-10)7-14-3-1-9(11)2-4-14/h5-6,8-9,15H,1-4,7H2
InChIKeyHEUWIUUQWVLBMR-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.39
Rot. Bonds1

About 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol

3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 15750245) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID15750245
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2cncnc2)CN2CCC1CC2
InChIInChI=1S/C11H15N3O/c15-11(10-5-12-8-13-6-10)7-14-3-1-9(11)2-4-14/h5-6,8-9,15H,1-4,7H2
InChIKeyHEUWIUUQWVLBMR-UHFFFAOYSA-N
XLogP0.39
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Pyrimidinyl)-1-azabicyclo[2.2.2]octane
CID 15750249
3-(2-Methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol
CID 15750246
2,4-Dimethyl-3-pyrimidin-5-ylpentan-3-ol
CID 19843733
4-(Pyrimidin-5-yl)piperidin-4-ol
CID 57880453
4-Methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol
CID 58449988
3-Methyl-2-pyrimidin-5-ylbutan-2-ol
CID 62492241
1-Pyrimidin-5-ylcyclobutan-1-ol
CID 79080481
4-Methyl-2-pyrimidin-5-ylpentan-2-ol
CID 89577097
2,4-Dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol
CID 123590530
1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-pyrimidin-5-ylprop-2-yn-1-ol
CID 153702303
2-[2-(4-Propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol
CID 166901175
1-(5-Propan-2-ylpyrimidin-2-yl)-4-propylpiperidin-4-ol
CID 170582015

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol (CID 15750245) is 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol is OC1(c2cncnc2)CN2CCC1CC2.
What is the InChIKey of 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is HEUWIUUQWVLBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11(10-5-12-8-13-6-10)7-14-3-1-9(11)2-4-14/h5-6,8-9,15H,1-4,7H2.
What are the key properties of 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol?
3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 205.26 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 15750245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).