2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine

C18H12ClF3N2O — CID 15452291

IUPAC2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1cnc(-c2cccc(Cl)c2)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N2O/c1-11-10-23-16(12-4-2-6-14(19)8-12)24-17(11)25-15-7-3-5-13(9-15)18(20,21)22/h2-10H,1H3
InChIKeyLTGZKFLEMKMECN-UHFFFAOYSA-N
MW364.75 g/mol
LogP5.92
Rot. Bonds3

About 2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine

2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 15452291) has the molecular formula C18H12ClF3N2O and a molecular weight of 364.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID15452291
Molecular FormulaC18H12ClF3N2O
Molecular Weight364.75 g/mol
Exact Mass364.06
IUPAC Name2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1cnc(-c2cccc(Cl)c2)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N2O/c1-11-10-23-16(12-4-2-6-14(19)8-12)24-17(11)25-15-7-3-5-13(9-15)18(20,21)22/h2-10H,1H3
InChIKeyLTGZKFLEMKMECN-UHFFFAOYSA-N
XLogP5.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.75
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 15452291) is 2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine is Cc1cnc(-c2cccc(Cl)c2)nc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is LTGZKFLEMKMECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O/c1-11-10-23-16(12-4-2-6-14(19)8-12)24-17(11)25-15-7-3-5-13(9-15)18(20,21)22/h2-10H,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine?
2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 364.75 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 15452291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).