8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

C12H16FN3O — CID 113234156

IUPAC8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ncnc(N2C3CCC2CC(O)C3)c1F
InChIInChI=1S/C12H16FN3O/c1-7-11(13)12(15-6-14-7)16-8-2-3-9(16)5-10(17)4-8/h6,8-10,17H,2-5H2,1H3
InChIKeyOJKFZGPXXQGZNG-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.42
Rot. Bonds1

About 8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 113234156) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID113234156
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ncnc(N2C3CCC2CC(O)C3)c1F
InChIInChI=1S/C12H16FN3O/c1-7-11(13)12(15-6-14-7)16-8-2-3-9(16)5-10(17)4-8/h6,8-10,17H,2-5H2,1H3
InChIKeyOJKFZGPXXQGZNG-UHFFFAOYSA-N
XLogP1.42
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 113234156) is 8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is Cc1ncnc(N2C3CCC2CC(O)C3)c1F.
What is the InChIKey of 8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is OJKFZGPXXQGZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-7-11(13)12(15-6-14-7)16-8-2-3-9(16)5-10(17)4-8/h6,8-10,17H,2-5H2,1H3.
What are the key properties of 8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 237.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 113234156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).