1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol

C8H9F3N2O — CID 135317682

IUPAC1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol
SMILESCc1nc(C(F)(F)F)ncc1C(C)O
InChIInChI=1S/C8H9F3N2O/c1-4-6(5(2)14)3-12-7(13-4)8(9,10)11/h3,5,14H,1-2H3
InChIKeyFKEHJRLMSRFHNH-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.86
Rot. Bonds1

About 1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol

1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol (PubChem CID 135317682) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol
PubChem CID135317682
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol
SMILESCc1nc(C(F)(F)F)ncc1C(C)O
InChIInChI=1S/C8H9F3N2O/c1-4-6(5(2)14)3-12-7(13-4)8(9,10)11/h3,5,14H,1-2H3
InChIKeyFKEHJRLMSRFHNH-UHFFFAOYSA-N
XLogP1.86
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dimethyl-5-pyrimidinemethanol
CID 98784
(4-Methylpyrimidin-5-yl)methanol
CID 24903630
1-(2,4-Dimethylpyrimidin-5-yl)ethan-1-ol
CID 54772446
(2-Methoxy-4-methylpyrimidin-5-yl)methanol
CID 83184643
(1S)-1-(4-methylpyrimidin-5-yl)ethan-1-ol
CID 91647671
2-[4-[Chloro(difluoro)methyl]pyrimidin-5-yl]propan-2-ol
CID 19074091
5-Pyrimidinemethanol, alpha-methyl-4-(trifluoromethyl)-
CID 19074096
1-[4-[Chloro(difluoro)methyl]pyrimidin-5-yl]ethanol
CID 19074105
1-[4-[Chloro(difluoro)methyl]pyrimidin-5-yl]-2,2-dimethylpropan-1-ol
CID 19074110
[4-[Chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol
CID 19700341
1-(4-Methylpyrimidin-5-yl)-1-(4-trifluoromethylpyrimidin-5-yl)methanol
CID 19702788
1,1-Bis-(4-trifluoromethylpyrimid-5-yl)methanol
CID 19702789

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol (CID 135317682) is 1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol is Cc1nc(C(F)(F)F)ncc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The InChIKey is FKEHJRLMSRFHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-4-6(5(2)14)3-12-7(13-4)8(9,10)11/h3,5,14H,1-2H3.
What are the key properties of 1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol?
1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol has a molecular weight of 206.17 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 135317682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).