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

C13H16F3N3O — CID 171704071

IUPAC8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nc(N2C3CCC2CC(O)C3)cc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O/c1-7-17-11(13(14,15)16)6-12(18-7)19-8-2-3-9(19)5-10(20)4-8/h6,8-10,20H,2-5H2,1H3
InChIKeyBIIAOBXADGNLPL-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.30
Rot. Bonds1

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

8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171704071) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171704071
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nc(N2C3CCC2CC(O)C3)cc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O/c1-7-17-11(13(14,15)16)6-12(18-7)19-8-2-3-9(19)5-10(20)4-8/h6,8-10,20H,2-5H2,1H3
InChIKeyBIIAOBXADGNLPL-UHFFFAOYSA-N
XLogP2.30
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 171704071) is 8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is Cc1nc(N2C3CCC2CC(O)C3)cc(C(F)(F)F)n1.
What is the InChIKey of 8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BIIAOBXADGNLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-7-17-11(13(14,15)16)6-12(18-7)19-8-2-3-9(19)5-10(20)4-8/h6,8-10,20H,2-5H2,1H3.
What are the key properties of 8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 287.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171704071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).