4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine

C20H18ClFN2O2 — CID 159991752

IUPAC4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine
SMILESCOc1ccc(COc2ncc(F)c(CCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H18ClFN2O2/c1-25-17-9-4-15(5-10-17)13-26-20-23-12-18(22)19(24-20)11-6-14-2-7-16(21)8-3-14/h2-5,7-10,12H,6,11,13H2,1H3
InChIKeyOHANDWKDJITYNT-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.64
Rot. Bonds7

About 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine

4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine (PubChem CID 159991752) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine
PubChem CID159991752
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine
SMILESCOc1ccc(COc2ncc(F)c(CCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H18ClFN2O2/c1-25-17-9-4-15(5-10-17)13-26-20-23-12-18(22)19(24-20)11-6-14-2-7-16(21)8-3-14/h2-5,7-10,12H,6,11,13H2,1H3
InChIKeyOHANDWKDJITYNT-UHFFFAOYSA-N
XLogP4.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine?
The IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine (CID 159991752) is 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine is COc1ccc(COc2ncc(F)c(CCc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine?
The InChIKey is OHANDWKDJITYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-25-17-9-4-15(5-10-17)13-26-20-23-12-18(22)19(24-20)11-6-14-2-7-16(21)8-3-14/h2-5,7-10,12H,6,11,13H2,1H3.
What are the key properties of 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine?
4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine has a molecular weight of 372.83 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-[(4-methoxyphenyl)methoxy]pyrimidine is sourced from PubChem (CID 159991752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).