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

C23H14Cl3FN2O — CID 10321988

IUPAC4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine
SMILESFc1ccc(COc2ncc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H14Cl3FN2O/c24-16-5-3-15(4-6-16)22-20(19-10-7-17(25)11-21(19)26)12-28-23(29-22)30-13-14-1-8-18(27)9-2-14/h1-12H,13H2
InChIKeyPPVYHAKZSXUOTI-UHFFFAOYSA-N
MW459.74 g/mol
LogP7.49
Rot. Bonds5

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

4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine (PubChem CID 10321988) has the molecular formula C23H14Cl3FN2O and a molecular weight of 459.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine
PubChem CID10321988
Molecular FormulaC23H14Cl3FN2O
Molecular Weight459.74 g/mol
Exact Mass458.02
IUPAC Name4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine
SMILESFc1ccc(COc2ncc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H14Cl3FN2O/c24-16-5-3-15(4-6-16)22-20(19-10-7-17(25)11-21(19)26)12-28-23(29-22)30-13-14-1-8-18(27)9-2-14/h1-12H,13H2
InChIKeyPPVYHAKZSXUOTI-UHFFFAOYSA-N
XLogP7.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.74
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triarimol
CID 33605
9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol
CID 13202326
4-(4-Chlorophenyl)-2-(4-fluorophenoxy)pyrimidine
CID 1487612
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine (CID 10321988) is 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine is Fc1ccc(COc2ncc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine?
The InChIKey is PPVYHAKZSXUOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl3FN2O/c24-16-5-3-15(4-6-16)22-20(19-10-7-17(25)11-21(19)26)12-28-23(29-22)30-13-14-1-8-18(27)9-2-14/h1-12H,13H2.
What are the key properties of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine?
4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine has a molecular weight of 459.74 g/mol, XLogP of 7.49, 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-[(4-fluorophenyl)methoxy]pyrimidine is sourced from PubChem (CID 10321988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).