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

C19H12F6N2O2 — CID 22100616

IUPAC4-methoxy-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cc(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H12F6N2O2/c1-28-15-10-16(29-14-4-2-3-13(9-14)19(23,24)25)27-17(26-15)11-5-7-12(8-6-11)18(20,21)22/h2-10H,1H3
InChIKeyOOMWKZNDMWCTQB-UHFFFAOYSA-N
MW414.31 g/mol
LogP5.98
Rot. Bonds4

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

4-methoxy-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 22100616) has the molecular formula C19H12F6N2O2 and a molecular weight of 414.31 g/mol. Its IUPAC name is 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID22100616
Molecular FormulaC19H12F6N2O2
Molecular Weight414.31 g/mol
Exact Mass414.08
IUPAC Name4-methoxy-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cc(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H12F6N2O2/c1-28-15-10-16(29-14-4-2-3-13(9-14)19(23,24)25)27-17(26-15)11-5-7-12(8-6-11)18(20,21)22/h2-10H,1H3
InChIKeyOOMWKZNDMWCTQB-UHFFFAOYSA-N
XLogP5.98
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.31
LogP ≤ 55.98
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]-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine (CID 22100616) is 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine is COc1cc(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is OOMWKZNDMWCTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O2/c1-28-15-10-16(29-14-4-2-3-13(9-14)19(23,24)25)27-17(26-15)11-5-7-12(8-6-11)18(20,21)22/h2-10H,1H3.
What are the key properties of 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine?
4-methoxy-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 414.31 g/mol, XLogP of 5.98, 4 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]-2-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 22100616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).