4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine

C19H15F3N2O3 — CID 19693891

IUPAC4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1cc(Oc2cccc(C(F)(F)F)c2)nc(OCc2ccccc2)n1
InChIInChI=1S/C19H15F3N2O3/c1-25-16-11-17(27-15-9-5-8-14(10-15)19(20,21)22)24-18(23-16)26-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyZDQMTJGXCIMNMF-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.88
Rot. Bonds6

About 4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine

4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 19693891) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID19693891
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1cc(Oc2cccc(C(F)(F)F)c2)nc(OCc2ccccc2)n1
InChIInChI=1S/C19H15F3N2O3/c1-25-16-11-17(27-15-9-5-8-14(10-15)19(20,21)22)24-18(23-16)26-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyZDQMTJGXCIMNMF-UHFFFAOYSA-N
XLogP4.88
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 19693891) is 4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine is COc1cc(Oc2cccc(C(F)(F)F)c2)nc(OCc2ccccc2)n1.
What is the InChIKey of 4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is ZDQMTJGXCIMNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-25-16-11-17(27-15-9-5-8-14(10-15)19(20,21)22)24-18(23-16)26-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3.
What are the key properties of 4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 376.33 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 19693891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).