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

C9H11F3N2O — CID 62770686

IUPAC1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol
SMILESCc1nc(CC(F)(F)F)ncc1C(C)O
InChIInChI=1S/C9H11F3N2O/c1-5-7(6(2)15)4-13-8(14-5)3-9(10,11)12/h4,6,15H,3H2,1-2H3
InChIKeyHURDJUOPJRCFFC-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.94
Rot. Bonds2

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

1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol (PubChem CID 62770686) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol
PubChem CID62770686
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol
SMILESCc1nc(CC(F)(F)F)ncc1C(C)O
InChIInChI=1S/C9H11F3N2O/c1-5-7(6(2)15)4-13-8(14-5)3-9(10,11)12/h4,6,15H,3H2,1-2H3
InChIKeyHURDJUOPJRCFFC-UHFFFAOYSA-N
XLogP1.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol (CID 62770686) is 1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol is Cc1nc(CC(F)(F)F)ncc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol?
The InChIKey is HURDJUOPJRCFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5-7(6(2)15)4-13-8(14-5)3-9(10,11)12/h4,6,15H,3H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol?
1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol has a molecular weight of 220.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 62770686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).