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

C18H12ClF3N2O — CID 10428889

IUPAC2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cnc(-c2ccc(Cl)cc2)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N2O/c1-25-15-10-23-17(11-5-7-14(19)8-6-11)24-16(15)12-3-2-4-13(9-12)18(20,21)22/h2-10H,1H3
InChIKeyNYBBWNFLSGJSOI-UHFFFAOYSA-N
MW364.75 g/mol
LogP5.49
Rot. Bonds3

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

2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 10428889) has the molecular formula C18H12ClF3N2O and a molecular weight of 364.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID10428889
Molecular FormulaC18H12ClF3N2O
Molecular Weight364.75 g/mol
Exact Mass364.06
IUPAC Name2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cnc(-c2ccc(Cl)cc2)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N2O/c1-25-15-10-23-17(11-5-7-14(19)8-6-11)24-16(15)12-3-2-4-13(9-12)18(20,21)22/h2-10H,1H3
InChIKeyNYBBWNFLSGJSOI-UHFFFAOYSA-N
XLogP5.49
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 ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 11725302
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
3-methoxy-6-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134627212
4-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134628417
4-[5-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenol
CID 4984154
5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134617505
8-methoxy-3-[3-(trifluoromethyl)phenyl]isoquinoline
CID 163359867
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
2-chloro-3-methoxy-4-[3-(trifluoromethyl)phenyl]pyridine
CID 118997181
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089532
methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 131871458

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine (CID 10428889) is 2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine is COc1cnc(-c2ccc(Cl)cc2)nc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is NYBBWNFLSGJSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O/c1-25-15-10-23-17(11-5-7-14(19)8-6-11)24-16(15)12-3-2-4-13(9-12)18(20,21)22/h2-10H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine?
2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 364.75 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 10428889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).