[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol

C12H17F3N4O — CID 106771022

IUPAC[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESCNc1cc(N2CCCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-16-9-6-10(18-11(17-9)12(13,14)15)19-5-3-2-4-8(19)7-20/h6,8,20H,2-5,7H2,1H3,(H,16,17,18)
InChIKeyHNXVFVQJIKGEMY-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.89
Rot. Bonds3

About [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol

[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol (PubChem CID 106771022) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol
PubChem CID106771022
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESCNc1cc(N2CCCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-16-9-6-10(18-11(17-9)12(13,14)15)19-5-3-2-4-8(19)7-20/h6,8,20H,2-5,7H2,1H3,(H,16,17,18)
InChIKeyHNXVFVQJIKGEMY-UHFFFAOYSA-N
XLogP1.89
TPSA61.28 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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770980
[(2R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 122491334
[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 102720517
[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102721155
[1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 115915425
1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 106775658
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102719469
6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771328
1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80960881
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640797
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645

Frequently Asked Questions

What is the IUPAC name of [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol (CID 106771022) is [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol is CNc1cc(N2CCCCC2CO)nc(C(F)(F)F)n1.
What is the InChIKey of [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol?
The InChIKey is HNXVFVQJIKGEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-16-9-6-10(18-11(17-9)12(13,14)15)19-5-3-2-4-8(19)7-20/h6,8,20H,2-5,7H2,1H3,(H,16,17,18).
What are the key properties of [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol?
[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol has a molecular weight of 290.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 106771022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).