4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine

C18H16N2O — CID 118912795

IUPAC4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(-c3cccc(C)c3)ncn2)cc1
InChIInChI=1S/C18H16N2O/c1-13-4-3-5-15(10-13)18-11-17(19-12-20-18)14-6-8-16(21-2)9-7-14/h3-12H,1-2H3
InChIKeyBCUJMBCHMOQUPO-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.13
Rot. Bonds3

About 4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine

4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine (PubChem CID 118912795) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine
PubChem CID118912795
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(-c3cccc(C)c3)ncn2)cc1
InChIInChI=1S/C18H16N2O/c1-13-4-3-5-15(10-13)18-11-17(19-12-20-18)14-6-8-16(21-2)9-7-14/h3-12H,1-2H3
InChIKeyBCUJMBCHMOQUPO-UHFFFAOYSA-N
XLogP4.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyphenyl)-6-methylpyrimidine
CID 58973518
4-chloro-6-(4-methoxyphenyl)pyrimidine
CID 11160353
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
5-methoxy-2-(3-methylphenyl)pyrimidine
CID 91581567
4-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)pyrimidin-2-amine
CID 75359700
2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 20652055
4-(2,6-dimethylphenyl)-6-(3-methoxybenzene-6-id-1-yl)pyrimidine;tris(iridium);4-(3-methoxybenzene-6-id-1-yl)-6-(3-methoxyphenyl)pyrimidine;4-(4-methoxybenzene-6-id-1-yl)-6-(4-methoxyphenyl)pyrimidine
CID 160859924
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4052140
4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 134179987
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine (CID 118912795) is 4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine is COc1ccc(-c2cc(-c3cccc(C)c3)ncn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine?
The InChIKey is BCUJMBCHMOQUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-4-3-5-15(10-13)18-11-17(19-12-20-18)14-6-8-16(21-2)9-7-14/h3-12H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine?
4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine has a molecular weight of 276.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 118912795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).