5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine

C19H15Cl2FN2O — CID 11625030

IUPAC5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine
SMILESCCc1ncnc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c1Cl
InChIInChI=1S/C19H15Cl2FN2O/c1-2-17-18(21)19(24-11-23-17)15-8-7-14(9-16(15)22)25-10-12-3-5-13(20)6-4-12/h3-9,11H,2,10H2,1H3
InChIKeyJXXRGLUQBGAWGN-UHFFFAOYSA-N
MW377.25 g/mol
LogP5.73
Rot. Bonds5

About 5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine

5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine (PubChem CID 11625030) has the molecular formula C19H15Cl2FN2O and a molecular weight of 377.25 g/mol. Its IUPAC name is 5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine
PubChem CID11625030
Molecular FormulaC19H15Cl2FN2O
Molecular Weight377.25 g/mol
Exact Mass376.05
IUPAC Name5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine
SMILESCCc1ncnc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c1Cl
InChIInChI=1S/C19H15Cl2FN2O/c1-2-17-18(21)19(24-11-23-17)15-8-7-14(9-16(15)22)25-10-12-3-5-13(20)6-4-12/h3-9,11H,2,10H2,1H3
InChIKeyJXXRGLUQBGAWGN-UHFFFAOYSA-N
XLogP5.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.25
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine?
The IUPAC name of 5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine (CID 11625030) is 5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine.
What is the SMILES notation for 5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine?
The canonical SMILES for 5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine is CCc1ncnc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c1Cl.
What is the InChIKey of 5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine?
The InChIKey is JXXRGLUQBGAWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN2O/c1-2-17-18(21)19(24-11-23-17)15-8-7-14(9-16(15)22)25-10-12-3-5-13(20)6-4-12/h3-9,11H,2,10H2,1H3.
What are the key properties of 5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine?
5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine has a molecular weight of 377.25 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine is sourced from PubChem (CID 11625030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).