4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine

C24H16Cl3FN2O — CID 10344804

IUPAC4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine
SMILESCC(Oc1ncc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H16Cl3FN2O/c1-14(15-4-9-19(28)10-5-15)31-24-29-13-21(20-11-8-18(26)12-22(20)27)23(30-24)16-2-6-17(25)7-3-16/h2-14H,1H3
InChIKeyPUSAVGVGYWFURH-UHFFFAOYSA-N
MW473.76 g/mol
LogP8.05
Rot. Bonds5

About 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine

4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine (PubChem CID 10344804) has the molecular formula C24H16Cl3FN2O and a molecular weight of 473.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine
PubChem CID10344804
Molecular FormulaC24H16Cl3FN2O
Molecular Weight473.76 g/mol
Exact Mass472.03
IUPAC Name4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine
SMILESCC(Oc1ncc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H16Cl3FN2O/c1-14(15-4-9-19(28)10-5-15)31-24-29-13-21(20-11-8-18(26)12-22(20)27)23(30-24)16-2-6-17(25)7-3-16/h2-14H,1H3
InChIKeyPUSAVGVGYWFURH-UHFFFAOYSA-N
XLogP8.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.76
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine
CID 102444240
5-(4-Chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine
CID 9955875
4-(2-Chloro-4-methylsulfanylphenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine
CID 10005746
5-(4-Chlorophenyl)-4-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)-6-methoxypyrimidine
CID 10005915
5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine-4-carbonitrile
CID 10006261
5-(4-Chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidine
CID 10028587
5-(4-Chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine
CID 10051901
2-(N,N-Diisopropylamino)-4-(3,4-difluorobenzyloxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidine
CID 10099666
4-(2-Chloro-4-methylsulfanylphenyl)-5-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine
CID 10254167
2-(3,4-Difluorobenzyloxy)-4-(amino)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidine
CID 10255108
2-(4-Fluorobenzyloxy)-4-(4-chloro-phenyl)-5-(2,4-dichlorophenyl)pyrimidine
CID 10321988
2-(3,4-Difluorobenzyloxy)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)pyrimidine
CID 10322804

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine (CID 10344804) is 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine is CC(Oc1ncc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine?
The InChIKey is PUSAVGVGYWFURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl3FN2O/c1-14(15-4-9-19(28)10-5-15)31-24-29-13-21(20-11-8-18(26)12-22(20)27)23(30-24)16-2-6-17(25)7-3-16/h2-14H,1H3.
What are the key properties of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine?
4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine has a molecular weight of 473.76 g/mol, XLogP of 8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine is sourced from PubChem (CID 10344804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).