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

C19H12F6N2O2 — CID 1472608

IUPAC5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cnc(-c2cccc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N2O2/c1-28-15-10-26-16(11-4-2-5-12(8-11)18(20,21)22)27-17(15)29-14-7-3-6-13(9-14)19(23,24)25/h2-10H,1H3
InChIKeyRYIUETQRLULNFE-UHFFFAOYSA-N
MW414.31 g/mol
LogP5.98
Rot. Bonds4

About 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine

5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 1472608) has the molecular formula C19H12F6N2O2 and a molecular weight of 414.31 g/mol. Its IUPAC name is 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID1472608
Molecular FormulaC19H12F6N2O2
Molecular Weight414.31 g/mol
Exact Mass414.08
IUPAC Name5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cnc(-c2cccc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N2O2/c1-28-15-10-26-16(11-4-2-5-12(8-11)18(20,21)22)27-17(15)29-14-7-3-6-13(9-14)19(23,24)25/h2-10H,1H3
InChIKeyRYIUETQRLULNFE-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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Related Compounds

4-(4-Chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine
CID 1472566
4,5-Dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 1472604
2-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl-[[2-(2-methoxy-5-propan-2-ylphenyl)-5,5-dimethylcyclohexen-1-yl]methyl]amino]pyrimidin-5-yl]oxyethanol
CID 134132448
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5,5-dimethylcyclohexen-1-yl]methyl]pyrimidin-2-amine
CID 134150151
5-Methoxy-4-(2-methylphenoxy)-2-phenylpyrimidine
CID 1472564
5-Methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine
CID 1472565
4-(2,6-Dimethylphenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 1474153
4-Ethoxy-5-phenoxy-2-phenylpyrimidine
CID 824783
N-(2,6-difluorobenzyl)-5-(2-(trifluoromethyl)phenoxy)pyrimidin-2-amine
CID 71086632
4-(2,3-Dimethylphenoxy)-5-methoxy-2-phenylpyrimidine
CID 1472558
4-(4-Tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine
CID 1472559
5-Methoxy-2-(2-pyridinyl)-4-pyrimidinyl 3-(trifluoromethyl)phenyl ether
CID 3792008

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine (CID 1472608) is 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine is COc1cnc(-c2cccc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is RYIUETQRLULNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O2/c1-28-15-10-26-16(11-4-2-5-12(8-11)18(20,21)22)27-17(15)29-14-7-3-6-13(9-14)19(23,24)25/h2-10H,1H3.
What are the key properties of 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine?
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(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 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 1472608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).