[2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

C11H9F3N2OS — CID 114205007

IUPAC[2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(Cc2cccs2)nc1C(F)(F)F
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)10-7(6-17)5-15-9(16-10)4-8-2-1-3-18-8/h1-3,5,17H,4,6H2
InChIKeyDMUWKVCZBZLSNZ-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.64
Rot. Bonds3

About [2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

[2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 114205007) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is [2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID114205007
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name[2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(Cc2cccs2)nc1C(F)(F)F
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)10-7(6-17)5-15-9(16-10)4-8-2-1-3-18-8/h1-3,5,17H,4,6H2
InChIKeyDMUWKVCZBZLSNZ-UHFFFAOYSA-N
XLogP2.64
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 114205007) is [2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is OCc1cnc(Cc2cccs2)nc1C(F)(F)F.
What is the InChIKey of [2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is DMUWKVCZBZLSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c12-11(13,14)10-7(6-17)5-15-9(16-10)4-8-2-1-3-18-8/h1-3,5,17H,4,6H2.
What are the key properties of [2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
[2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 274.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114205007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).