4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine

C12H9F3N2O2 — CID 18736680

IUPAC4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1cc(Oc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C12H9F3N2O2/c1-18-10-6-11(17-7-16-10)19-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3
InChIKeyOXSUCAPSLJGDLZ-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.30
Rot. Bonds3

About 4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine

4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 18736680) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID18736680
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1cc(Oc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C12H9F3N2O2/c1-18-10-6-11(17-7-16-10)19-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3
InChIKeyOXSUCAPSLJGDLZ-UHFFFAOYSA-N
XLogP3.30
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 18736680) is 4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine is COc1cc(Oc2cccc(C(F)(F)F)c2)ncn1.
What is the InChIKey of 4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is OXSUCAPSLJGDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-18-10-6-11(17-7-16-10)19-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3.
What are the key properties of 4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 270.21 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 18736680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).