4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol

C18H13F3N2O — CID 2880523

IUPAC4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCc1ccc(O)c(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H13F3N2O/c1-11-7-8-15(24)13(9-11)14-10-16(18(19,20)21)23-17(22-14)12-5-3-2-4-6-12/h2-10,24H,1H3
InChIKeyMKANBMATYGFUIG-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.84
Rot. Bonds2

About 4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol

4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol (PubChem CID 2880523) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
PubChem CID2880523
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCc1ccc(O)c(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H13F3N2O/c1-11-7-8-15(24)13(9-11)14-10-16(18(19,20)21)23-17(22-14)12-5-3-2-4-6-12/h2-10,24H,1H3
InChIKeyMKANBMATYGFUIG-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

Analyze 4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The IUPAC name of 4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol (CID 2880523) is 4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol is Cc1ccc(O)c(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The InChIKey is MKANBMATYGFUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c1-11-7-8-15(24)13(9-11)14-10-16(18(19,20)21)23-17(22-14)12-5-3-2-4-6-12/h2-10,24H,1H3.
What are the key properties of 4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
4-methyl-2-[2-phenyl-6-(trifluoromethyl)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 4-methyl-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 2880523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).