8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

C13H20N4O — CID 64829709

IUPAC8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN(C)c1nccc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H20N4O/c1-16(2)13-14-6-5-12(15-13)17-9-3-4-10(17)8-11(18)7-9/h5-6,9-11,18H,3-4,7-8H2,1-2H3
InChIKeyIJHOYAYWWGRAAL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.03
Rot. Bonds2

About 8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 64829709) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID64829709
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN(C)c1nccc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H20N4O/c1-16(2)13-14-6-5-12(15-13)17-9-3-4-10(17)8-11(18)7-9/h5-6,9-11,18H,3-4,7-8H2,1-2H3
InChIKeyIJHOYAYWWGRAAL-UHFFFAOYSA-N
XLogP1.03
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 64829709) is 8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is CN(C)c1nccc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is IJHOYAYWWGRAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(2)13-14-6-5-12(15-13)17-9-3-4-10(17)8-11(18)7-9/h5-6,9-11,18H,3-4,7-8H2,1-2H3.
What are the key properties of 8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 248.33 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 64829709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).