5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine

C18H15FN2O2 — CID 175409947

IUPAC5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine
SMILESCc1ncc(COc2cc(F)cc(Oc3ccccc3)c2)cn1
InChIInChI=1S/C18H15FN2O2/c1-13-20-10-14(11-21-13)12-22-17-7-15(19)8-18(9-17)23-16-5-3-2-4-6-16/h2-11H,12H2,1H3
InChIKeyMYXGDXMWYSOUAX-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.30
Rot. Bonds5

About 5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine

5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine (PubChem CID 175409947) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine
PubChem CID175409947
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine
SMILESCc1ncc(COc2cc(F)cc(Oc3ccccc3)c2)cn1
InChIInChI=1S/C18H15FN2O2/c1-13-20-10-14(11-21-13)12-22-17-7-15(19)8-18(9-17)23-16-5-3-2-4-6-16/h2-11H,12H2,1H3
InChIKeyMYXGDXMWYSOUAX-UHFFFAOYSA-N
XLogP4.30
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine?
The IUPAC name of 5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine (CID 175409947) is 5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine.
What is the SMILES notation for 5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine?
The canonical SMILES for 5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine is Cc1ncc(COc2cc(F)cc(Oc3ccccc3)c2)cn1.
What is the InChIKey of 5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine?
The InChIKey is MYXGDXMWYSOUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-13-20-10-14(11-21-13)12-22-17-7-15(19)8-18(9-17)23-16-5-3-2-4-6-16/h2-11H,12H2,1H3.
What are the key properties of 5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine?
5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine has a molecular weight of 310.33 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine is sourced from PubChem (CID 175409947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).