3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol

C12H17N3O — CID 15750246

IUPAC3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESCc1ncc(C2(O)CN3CCC2CC3)cn1
InChIInChI=1S/C12H17N3O/c1-9-13-6-11(7-14-9)12(16)8-15-4-2-10(12)3-5-15/h6-7,10,16H,2-5,8H2,1H3
InChIKeyQYTYSIOUDYWRNU-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.70
Rot. Bonds1

About 3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol

3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 15750246) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID15750246
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESCc1ncc(C2(O)CN3CCC2CC3)cn1
InChIInChI=1S/C12H17N3O/c1-9-13-6-11(7-14-9)12(16)8-15-4-2-10(12)3-5-15/h6-7,10,16H,2-5,8H2,1H3
InChIKeyQYTYSIOUDYWRNU-UHFFFAOYSA-N
XLogP0.70
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol with MolForge

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Related Compounds

3-(2-Methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octane
CID 15750250
3-(5-Pyrimidinyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 15750245
4-Methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol
CID 58449988
2-(2-Methylpyrimidin-5-yl)butan-2-ol
CID 68219040
4-Methyl-2-pyrimidin-5-ylpentan-2-ol
CID 89577097
Ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol
CID 143869977
1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-pyrimidin-5-ylprop-2-yn-1-ol
CID 153702303
4-[4-(2-Propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol
CID 156802660
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
1-(2-Tert-butylpyrimidin-5-yl)cyclobutan-1-ol
CID 171604012
1-Methyl-4-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-ol
CID 176651001

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol (CID 15750246) is 3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol is Cc1ncc(C2(O)CN3CCC2CC3)cn1.
What is the InChIKey of 3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is QYTYSIOUDYWRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-13-6-11(7-14-9)12(16)8-15-4-2-10(12)3-5-15/h6-7,10,16H,2-5,8H2,1H3.
What are the key properties of 3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol?
3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 219.29 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrimidin-5-yl)-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 15750246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).