5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine

C18H15FN2O2 — CID 679767

IUPAC5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine
SMILESCc1cccc(Oc2ncc(F)c(Oc3cccc(C)c3)n2)c1
InChIInChI=1S/C18H15FN2O2/c1-12-5-3-7-14(9-12)22-17-16(19)11-20-18(21-17)23-15-8-4-6-13(2)10-15/h3-11H,1-2H3
InChIKeyZJIQIXWHBMLKHK-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.82
Rot. Bonds4

About 5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine

5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine (PubChem CID 679767) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine
PubChem CID679767
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine
SMILESCc1cccc(Oc2ncc(F)c(Oc3cccc(C)c3)n2)c1
InChIInChI=1S/C18H15FN2O2/c1-12-5-3-7-14(9-12)22-17-16(19)11-20-18(21-17)23-15-8-4-6-13(2)10-15/h3-11H,1-2H3
InChIKeyZJIQIXWHBMLKHK-UHFFFAOYSA-N
XLogP4.82
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine
CID 142991814
2-(3-methylphenoxy)pyrimidine
CID 20603792
2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine
CID 121014438
2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine
CID 118311907
1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone
CID 142274107
2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine
CID 79081904
3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline
CID 118067174
5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine
CID 80869678
3-bromo-5-chloro-2-(3-methylphenoxy)pyridine
CID 114837538
4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80864146
[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine
CID 80636065
4-(3-methylphenoxy)-1H-imidazol-5-amine
CID 83619594

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine?
The IUPAC name of 5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine (CID 679767) is 5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine.
What is the SMILES notation for 5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine?
The canonical SMILES for 5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine is Cc1cccc(Oc2ncc(F)c(Oc3cccc(C)c3)n2)c1.
What is the InChIKey of 5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine?
The InChIKey is ZJIQIXWHBMLKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12-5-3-7-14(9-12)22-17-16(19)11-20-18(21-17)23-15-8-4-6-13(2)10-15/h3-11H,1-2H3.
What are the key properties of 5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine?
5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine has a molecular weight of 310.33 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine is sourced from PubChem (CID 679767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).