4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine

C18H15FN2 — CID 154722562

IUPAC4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(F)nc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C18H15FN2/c1-12-6-8-14(9-7-12)16-11-17(19)21-18(20-16)15-5-3-4-13(2)10-15/h3-11H,1-2H3
InChIKeyFAVDMZASCHEHQD-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.57
Rot. Bonds2

About 4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine

4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine (PubChem CID 154722562) has the molecular formula C18H15FN2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine
PubChem CID154722562
Molecular FormulaC18H15FN2
Molecular Weight278.33 g/mol
Exact Mass278.12
IUPAC Name4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(F)nc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C18H15FN2/c1-12-6-8-14(9-7-12)16-11-17(19)21-18(20-16)15-5-3-4-13(2)10-15/h3-11H,1-2H3
InChIKeyFAVDMZASCHEHQD-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
2-(4-methylphenyl)-4,6-diphenylpyrimidine;4-(4-methylphenyl)-2,6-diphenylpyrimidine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyridine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyridine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 159145948
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
4-[3,5-bis(3-methylphenyl)phenyl]-2,6-diphenylpyridine;4-[3-(3-methylphenyl)-5-(4-methylphenyl)phenyl]-2,6-diphenylpyridine
CID 91503423
2-[3-(3-methylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129263613
4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 118490750
2-methyl-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;4-(3-methylphenyl)-6-phenylpyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;2-(3-methylphenyl)-4-phenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-1,3,5-triazine
CID 160681718

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine?
The IUPAC name of 4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine (CID 154722562) is 4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine?
The canonical SMILES for 4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine is Cc1ccc(-c2cc(F)nc(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of 4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine?
The InChIKey is FAVDMZASCHEHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2/c1-12-6-8-14(9-7-12)16-11-17(19)21-18(20-16)15-5-3-4-13(2)10-15/h3-11H,1-2H3.
What are the key properties of 4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine?
4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine has a molecular weight of 278.33 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-methylphenyl)-6-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 154722562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).