2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol

C12H17F3N4O — CID 106770236

IUPAC2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol
SMILESNc1cc(N2CCCCC2CCO)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)11-17-9(16)7-10(18-11)19-5-2-1-3-8(19)4-6-20/h7-8,20H,1-6H2,(H2,16,17,18)
InChIKeyBDOMMRRBSCJAAD-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.82
Rot. Bonds3

About 2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol

2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol (PubChem CID 106770236) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol
PubChem CID106770236
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol
SMILESNc1cc(N2CCCCC2CCO)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)11-17-9(16)7-10(18-11)19-5-2-1-3-8(19)4-6-20/h7-8,20H,1-6H2,(H2,16,17,18)
InChIKeyBDOMMRRBSCJAAD-UHFFFAOYSA-N
XLogP1.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol (CID 106770236) is 2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol is Nc1cc(N2CCCCC2CCO)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol?
The InChIKey is BDOMMRRBSCJAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)11-17-9(16)7-10(18-11)19-5-2-1-3-8(19)4-6-20/h7-8,20H,1-6H2,(H2,16,17,18).
What are the key properties of 2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol?
2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol has a molecular weight of 290.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol is sourced from PubChem (CID 106770236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).