[2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

C11H9F3N2OS — CID 114204982

IUPAC[2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESCc1cscc1-c1ncc(CO)c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2OS/c1-6-4-18-5-8(6)10-15-2-7(3-17)9(16-10)11(12,13)14/h2,4-5,17H,3H2,1H3
InChIKeyJVBOAUGCLRXHDG-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.02
Rot. Bonds2

About [2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

[2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 114204982) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is [2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID114204982
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name[2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESCc1cscc1-c1ncc(CO)c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2OS/c1-6-4-18-5-8(6)10-15-2-7(3-17)9(16-10)11(12,13)14/h2,4-5,17H,3H2,1H3
InChIKeyJVBOAUGCLRXHDG-UHFFFAOYSA-N
XLogP3.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 114204982) is [2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is Cc1cscc1-c1ncc(CO)c(C(F)(F)F)n1.
What is the InChIKey of [2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is JVBOAUGCLRXHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c1-6-4-18-5-8(6)10-15-2-7(3-17)9(16-10)11(12,13)14/h2,4-5,17H,3H2,1H3.
What are the key properties of [2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
[2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 274.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114204982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).