5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine

C23H14Cl3FN2O2 — CID 90718314

IUPAC5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine
SMILESCOc1nc(Oc2ccccc2F)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C23H14Cl3FN2O2/c1-30-23-28-21(16-11-10-15(25)12-17(16)26)20(13-6-8-14(24)9-7-13)22(29-23)31-19-5-3-2-4-18(19)27/h2-12H,1H3
InChIKeyLZCNUPXOZYCUEW-UHFFFAOYSA-N
MW475.73 g/mol
LogP7.71
Rot. Bonds5

About 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine (PubChem CID 90718314) has the molecular formula C23H14Cl3FN2O2 and a molecular weight of 475.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine
PubChem CID90718314
Molecular FormulaC23H14Cl3FN2O2
Molecular Weight475.73 g/mol
Exact Mass474.01
IUPAC Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine
SMILESCOc1nc(Oc2ccccc2F)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C23H14Cl3FN2O2/c1-30-23-28-21(16-11-10-15(25)12-17(16)26)20(13-6-8-14(24)9-7-13)22(29-23)31-19-5-3-2-4-18(19)27/h2-12H,1H3
InChIKeyLZCNUPXOZYCUEW-UHFFFAOYSA-N
XLogP7.71
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.73
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine (CID 90718314) is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine is COc1nc(Oc2ccccc2F)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine?
The InChIKey is LZCNUPXOZYCUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl3FN2O2/c1-30-23-28-21(16-11-10-15(25)12-17(16)26)20(13-6-8-14(24)9-7-13)22(29-23)31-19-5-3-2-4-18(19)27/h2-12H,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine?
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine has a molecular weight of 475.73 g/mol, XLogP of 7.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine is sourced from PubChem (CID 90718314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).