4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine

C19H14Cl3FN2O — CID 158763971

IUPAC4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine
SMILESFc1cnc(OCc2ccc(Cl)cc2Cl)nc1CCc1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl3FN2O/c20-14-5-1-12(2-6-14)3-8-18-17(23)10-24-19(25-18)26-11-13-4-7-15(21)9-16(13)22/h1-2,4-7,9-10H,3,8,11H2
InChIKeyIPAHIHDHVABDRC-UHFFFAOYSA-N
MW411.69 g/mol
LogP5.94
Rot. Bonds6

About 4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine

4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine (PubChem CID 158763971) has the molecular formula C19H14Cl3FN2O and a molecular weight of 411.69 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine
PubChem CID158763971
Molecular FormulaC19H14Cl3FN2O
Molecular Weight411.69 g/mol
Exact Mass410.02
IUPAC Name4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine
SMILESFc1cnc(OCc2ccc(Cl)cc2Cl)nc1CCc1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl3FN2O/c20-14-5-1-12(2-6-14)3-8-18-17(23)10-24-19(25-18)26-11-13-4-7-15(21)9-16(13)22/h1-2,4-7,9-10H,3,8,11H2
InChIKeyIPAHIHDHVABDRC-UHFFFAOYSA-N
XLogP5.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.69
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine
CID 166089342
2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine
CID 157469600
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
2-chloro-6-[(2,4-dichlorophenyl)methoxy]pyridine
CID 121012693
3-[(2,4-dichlorophenyl)methoxy]quinoline
CID 107388172
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine
CID 59753910
3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium
CID 164914506
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene
CID 107745761
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine
CID 66529536
[3-[(2,4-dichlorophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79157833
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine
CID 4718408

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine?
The IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine (CID 158763971) is 4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine is Fc1cnc(OCc2ccc(Cl)cc2Cl)nc1CCc1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine?
The InChIKey is IPAHIHDHVABDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3FN2O/c20-14-5-1-12(2-6-14)3-8-18-17(23)10-24-19(25-18)26-11-13-4-7-15(21)9-16(13)22/h1-2,4-7,9-10H,3,8,11H2.
What are the key properties of 4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine?
4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine has a molecular weight of 411.69 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine is sourced from PubChem (CID 158763971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).