5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol

C20H17F3N2O3 — CID 2035295

IUPAC5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3O)nc(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O3/c1-11-24-18(15-9-8-14(28-3)10-16(15)26)17(19(25-11)20(21,22)23)12-4-6-13(27-2)7-5-12/h4-10,26H,1-3H3
InChIKeyVFEHLPJMPAIDSP-UHFFFAOYSA-N
MW390.36 g/mol
LogP4.86
Rot. Bonds4

About 5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol

5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol (PubChem CID 2035295) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
PubChem CID2035295
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3O)nc(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O3/c1-11-24-18(15-9-8-14(28-3)10-16(15)26)17(19(25-11)20(21,22)23)12-4-6-13(27-2)7-5-12/h4-10,26H,1-3H3
InChIKeyVFEHLPJMPAIDSP-UHFFFAOYSA-N
XLogP4.86
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The IUPAC name of 5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol (CID 2035295) is 5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol is COc1ccc(-c2c(-c3ccc(OC)cc3O)nc(C)nc2C(F)(F)F)cc1.
What is the InChIKey of 5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The InChIKey is VFEHLPJMPAIDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-11-24-18(15-9-8-14(28-3)10-16(15)26)17(19(25-11)20(21,22)23)12-4-6-13(27-2)7-5-12/h4-10,26H,1-3H3.
What are the key properties of 5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol has a molecular weight of 390.36 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 2035295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).