(4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol

C14H13F3N2O — CID 67704290

IUPAC(4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCCc1ncncc1C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O/c1-2-12-10(7-18-8-19-12)13(20)9-5-3-4-6-11(9)14(15,16)17/h3-8,13,20H,2H2,1H3
InChIKeyQVRJKILNWWZWFY-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.14
Rot. Bonds3

About (4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol

(4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 67704290) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is (4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID67704290
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name(4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCCc1ncncc1C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O/c1-2-12-10(7-18-8-19-12)13(20)9-5-3-4-6-11(9)14(15,16)17/h3-8,13,20H,2H2,1H3
InChIKeyQVRJKILNWWZWFY-UHFFFAOYSA-N
XLogP3.14
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol (CID 67704290) is (4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol is CCc1ncncc1C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of (4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is QVRJKILNWWZWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-2-12-10(7-18-8-19-12)13(20)9-5-3-4-6-11(9)14(15,16)17/h3-8,13,20H,2H2,1H3.
What are the key properties of (4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol?
(4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 282.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 67704290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).