2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol

C18H13F3N2O — CID 135960797

IUPAC2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol
SMILESCc1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2O)n1
InChIInChI=1S/C18H13F3N2O/c1-11-22-10-15(12-5-4-6-13(9-12)18(19,20)21)17(23-11)14-7-2-3-8-16(14)24/h2-10,24H,1H3
InChIKeyFNLLYUFAYJQXCE-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.84
Rot. Bonds2

About 2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol

2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol (PubChem CID 135960797) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol
PubChem CID135960797
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol
SMILESCc1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2O)n1
InChIInChI=1S/C18H13F3N2O/c1-11-22-10-15(12-5-4-6-13(9-12)18(19,20)21)17(23-11)14-7-2-3-8-16(14)24/h2-10,24H,1H3
InChIKeyFNLLYUFAYJQXCE-UHFFFAOYSA-N
XLogP4.84
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol (CID 135960797) is 2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol is Cc1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2O)n1.
What is the InChIKey of 2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol?
The InChIKey is FNLLYUFAYJQXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c1-11-22-10-15(12-5-4-6-13(9-12)18(19,20)21)17(23-11)14-7-2-3-8-16(14)24/h2-10,24H,1H3.
What are the key properties of 2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol?
2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol has a molecular weight of 330.31 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol is sourced from PubChem (CID 135960797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).