5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine

C16H10F6N4O2 — CID 21267745

IUPAC5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine
SMILESCc1cnc(-n2cnc(C(F)(F)F)c2)nc1Oc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H10F6N4O2/c1-9-6-23-14(26-7-12(24-8-26)15(17,18)19)25-13(9)27-10-3-2-4-11(5-10)28-16(20,21)22/h2-8H,1H3
InChIKeySNHOLHKGVIMJHB-UHFFFAOYSA-N
MW404.27 g/mol
LogP4.68
Rot. Bonds4

About 5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine

5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine (PubChem CID 21267745) has the molecular formula C16H10F6N4O2 and a molecular weight of 404.27 g/mol. Its IUPAC name is 5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine
PubChem CID21267745
Molecular FormulaC16H10F6N4O2
Molecular Weight404.27 g/mol
Exact Mass404.07
IUPAC Name5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine
SMILESCc1cnc(-n2cnc(C(F)(F)F)c2)nc1Oc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H10F6N4O2/c1-9-6-23-14(26-7-12(24-8-26)15(17,18)19)25-13(9)27-10-3-2-4-11(5-10)28-16(20,21)22/h2-8H,1H3
InChIKeySNHOLHKGVIMJHB-UHFFFAOYSA-N
XLogP4.68
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine?
The IUPAC name of 5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine (CID 21267745) is 5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine.
What is the SMILES notation for 5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine?
The canonical SMILES for 5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine is Cc1cnc(-n2cnc(C(F)(F)F)c2)nc1Oc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine?
The InChIKey is SNHOLHKGVIMJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N4O2/c1-9-6-23-14(26-7-12(24-8-26)15(17,18)19)25-13(9)27-10-3-2-4-11(5-10)28-16(20,21)22/h2-8H,1H3.
What are the key properties of 5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine?
5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine has a molecular weight of 404.27 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine is sourced from PubChem (CID 21267745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).