4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine

C13H11F3N2O3 — CID 4564336

IUPAC4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1cc(OC)nc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11F3N2O3/c1-19-10-7-11(20-2)18-12(17-10)21-9-5-3-4-8(6-9)13(14,15)16/h3-7H,1-2H3
InChIKeyBNZGNGYNEDTZIC-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.30
Rot. Bonds4

About 4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine

4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 4564336) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID4564336
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1cc(OC)nc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11F3N2O3/c1-19-10-7-11(20-2)18-12(17-10)21-9-5-3-4-8(6-9)13(14,15)16/h3-7H,1-2H3
InChIKeyBNZGNGYNEDTZIC-UHFFFAOYSA-N
XLogP3.30
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 4564336) is 4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine is COc1cc(OC)nc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is BNZGNGYNEDTZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-19-10-7-11(20-2)18-12(17-10)21-9-5-3-4-8(6-9)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 300.24 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 4564336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).