4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine

C23H18N2O — CID 138967549

IUPAC4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine
SMILESCc1cc(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H18N2O/c1-17-16-22(25-23(24-17)19-8-4-2-5-9-19)18-12-14-21(15-13-18)26-20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyWBIHSZALLNFOLW-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.91
Rot. Bonds4

About 4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine

4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine (PubChem CID 138967549) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine
PubChem CID138967549
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine
SMILESCc1cc(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H18N2O/c1-17-16-22(25-23(24-17)19-8-4-2-5-9-19)18-12-14-21(15-13-18)26-20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyWBIHSZALLNFOLW-UHFFFAOYSA-N
XLogP5.91
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 ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157118867
2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292621
4-methyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 121360265
4-[4-[4-[4-(2,6-diphenyl-4-pyridinyl)phenoxy]phenoxy]phenyl]-2,6-diphenylpyridine
CID 58692915
4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine
CID 138967547
2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050379
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650
2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157416880
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine (CID 138967549) is 4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine is Cc1cc(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine?
The InChIKey is WBIHSZALLNFOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-17-16-22(25-23(24-17)19-8-4-2-5-9-19)18-12-14-21(15-13-18)26-20-10-6-3-7-11-20/h2-16H,1H3.
What are the key properties of 4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine?
4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine has a molecular weight of 338.41 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 138967549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).