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

C12H15F3N4O — CID 106772046

IUPAC8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1cc(N2C3CCC2CC(O)C3)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-17-9(16)5-10(18-11)19-6-1-2-7(19)4-8(20)3-6/h5-8,20H,1-4H2,(H2,16,17,18)
InChIKeyYQNCYGYQLVWVJL-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.57
Rot. Bonds1

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

8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 106772046) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID106772046
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1cc(N2C3CCC2CC(O)C3)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-17-9(16)5-10(18-11)19-6-1-2-7(19)4-8(20)3-6/h5-8,20H,1-4H2,(H2,16,17,18)
InChIKeyYQNCYGYQLVWVJL-UHFFFAOYSA-N
XLogP1.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 106772046) is 8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is Nc1cc(N2C3CCC2CC(O)C3)nc(C(F)(F)F)n1.
What is the InChIKey of 8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is YQNCYGYQLVWVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)11-17-9(16)5-10(18-11)19-6-1-2-7(19)4-8(20)3-6/h5-8,20H,1-4H2,(H2,16,17,18).
What are the key properties of 8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 288.27 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 106772046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).