2-(4-methoxyphenyl)-4,6-diphenylpyrimidine

C23H18N2O — CID 12706669

IUPAC2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
SMILESCOc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H18N2O/c1-26-20-14-12-19(13-15-20)23-24-21(17-8-4-2-5-9-17)16-22(25-23)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyPHJBQIBSLIRJLJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.49
Rot. Bonds4

About 2-(4-methoxyphenyl)-4,6-diphenylpyrimidine

2-(4-methoxyphenyl)-4,6-diphenylpyrimidine (PubChem CID 12706669) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
PubChem CID12706669
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
SMILESCOc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H18N2O/c1-26-20-14-12-19(13-15-20)23-24-21(17-8-4-2-5-9-17)16-22(25-23)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyPHJBQIBSLIRJLJ-UHFFFAOYSA-N
XLogP5.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
CID 131698334
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 118721631
[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649159
2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol
CID 142176460
4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine
CID 12703705
2-(4-methoxyphenyl)-6-methyl-4-phenylpyridine
CID 10333611
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine
CID 138967549
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(4-methoxyphenyl)-4,6-diphenylpyrimidine (CID 12706669) is 2-(4-methoxyphenyl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(4-methoxyphenyl)-4,6-diphenylpyrimidine is COc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4,6-diphenylpyrimidine?
The InChIKey is PHJBQIBSLIRJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-26-20-14-12-19(13-15-20)23-24-21(17-8-4-2-5-9-17)16-22(25-23)18-10-6-3-7-11-18/h2-16H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4,6-diphenylpyrimidine?
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine has a molecular weight of 338.41 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 12706669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).