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

C19H12F6N2O2 — CID 152556619

IUPAC4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1cc(Oc2cccc(C(F)(F)F)c2)nc(Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H12F6N2O2/c1-11-9-16(28-15-4-2-3-13(10-15)19(23,24)25)27-17(26-11)29-14-7-5-12(6-8-14)18(20,21)22/h2-10H,1H3
InChIKeyYOPRVERFOKDIHO-UHFFFAOYSA-N
MW414.31 g/mol
LogP6.41
Rot. Bonds4

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

4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 152556619) has the molecular formula C19H12F6N2O2 and a molecular weight of 414.31 g/mol. Its IUPAC name is 4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID152556619
Molecular FormulaC19H12F6N2O2
Molecular Weight414.31 g/mol
Exact Mass414.08
IUPAC Name4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1cc(Oc2cccc(C(F)(F)F)c2)nc(Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H12F6N2O2/c1-11-9-16(28-15-4-2-3-13(10-15)19(23,24)25)27-17(26-11)29-14-7-5-12(6-8-14)18(20,21)22/h2-10H,1H3
InChIKeyYOPRVERFOKDIHO-UHFFFAOYSA-N
XLogP6.41
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 ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234
2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 176691058
2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 62476947
4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 18356785
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
4-methyl-6-phenoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
CID 46034104
4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole
CID 18921392
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519
3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 57090864
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine
CID 80874520

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine (CID 152556619) is 4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine is Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(Oc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is YOPRVERFOKDIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O2/c1-11-9-16(28-15-4-2-3-13(10-15)19(23,24)25)27-17(26-11)29-14-7-5-12(6-8-14)18(20,21)22/h2-10H,1H3.
What are the key properties of 4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine?
4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 414.31 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 152556619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).