8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol

C14H19F3N4O — CID 133298084

IUPAC8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN(C)c1cc(C(F)(F)F)nc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H19F3N4O/c1-20(2)12-7-11(14(15,16)17)18-13(19-12)21-8-3-4-9(21)6-10(22)5-8/h7-10,22H,3-6H2,1-2H3
InChIKeyGUFYFBLKDGGWEM-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.05
Rot. Bonds2

About 8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol

8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 133298084) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID133298084
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN(C)c1cc(C(F)(F)F)nc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H19F3N4O/c1-20(2)12-7-11(14(15,16)17)18-13(19-12)21-8-3-4-9(21)6-10(22)5-8/h7-10,22H,3-6H2,1-2H3
InChIKeyGUFYFBLKDGGWEM-UHFFFAOYSA-N
XLogP2.05
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 133298084) is 8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol is CN(C)c1cc(C(F)(F)F)nc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GUFYFBLKDGGWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-20(2)12-7-11(14(15,16)17)18-13(19-12)21-8-3-4-9(21)6-10(22)5-8/h7-10,22H,3-6H2,1-2H3.
What are the key properties of 8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 316.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 133298084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).