[4-(trifluoromethyl)pyrimidin-5-yl]methanol

C6H5F3N2O — CID 130482972

IUPAC[4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1C(F)(F)F
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5-4(2-12)1-10-3-11-5/h1,3,12H,2H2
InChIKeyWWEGUTDGLDGCSZ-UHFFFAOYSA-N
MW178.11 g/mol
LogP0.99
Rot. Bonds1

About [4-(trifluoromethyl)pyrimidin-5-yl]methanol

[4-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 130482972) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is [4-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID130482972
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name[4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1C(F)(F)F
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5-4(2-12)1-10-3-11-5/h1,3,12H,2H2
InChIKeyWWEGUTDGLDGCSZ-UHFFFAOYSA-N
XLogP0.99
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 50.99
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-Chloro-5-fluoropyrimidin-4-yl)methanol
CID 86697886
(2-Methoxy-4-methylpyrimidin-5-yl)methanol
CID 83184643
(1S)-1-(4-methylpyrimidin-5-yl)ethan-1-ol
CID 91647671
(4-Methyl-2-(methylthio)pyrimidin-5-yl)methanol
CID 15063003
5-Pyrimidinemethanol, alpha-methyl-4-(trifluoromethyl)-
CID 19074096
1-[4-[Chloro(difluoro)methyl]pyrimidin-5-yl]ethanol
CID 19074105
[2-Methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 21220617
5-(1-Hydroxy-2-methylpropyl)-4-trifluoromethylpyrimidine
CID 22648768
(2-Amino-4-(trifluoromethyl)pyrimidin-5-yl)methanol
CID 55295966

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 130482972) is [4-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(trifluoromethyl)pyrimidin-5-yl]methanol is OCc1cncnc1C(F)(F)F.
What is the InChIKey of [4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is WWEGUTDGLDGCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)5-4(2-12)1-10-3-11-5/h1,3,12H,2H2.
What are the key properties of [4-(trifluoromethyl)pyrimidin-5-yl]methanol?
[4-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 178.11 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 130482972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).