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

C12H17F3N4O — CID 106839876

IUPAC1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cc(N)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-7(20)8-2-4-19(5-3-8)10-6-9(16)17-11(18-10)12(13,14)15/h6-8,20H,2-5H2,1H3,(H2,16,17,18)
InChIKeyVFZCLGQIUQIWBB-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.67
Rot. Bonds2

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

1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol (PubChem CID 106839876) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
PubChem CID106839876
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cc(N)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-7(20)8-2-4-19(5-3-8)10-6-9(16)17-11(18-10)12(13,14)15/h6-8,20H,2-5H2,1H3,(H2,16,17,18)
InChIKeyVFZCLGQIUQIWBB-UHFFFAOYSA-N
XLogP1.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 106771825
6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773226
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771344
6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772949
1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839962
1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106836980
2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 80961329
1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 102716130
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107460198
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 106835243

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol (CID 106839876) is 1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol is CC(O)C1CCN(c2cc(N)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The InChIKey is VFZCLGQIUQIWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7(20)8-2-4-19(5-3-8)10-6-9(16)17-11(18-10)12(13,14)15/h6-8,20H,2-5H2,1H3,(H2,16,17,18).
What are the key properties of 1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol?
1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol has a molecular weight of 290.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106839876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).