4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine

C18H16N2O — CID 12703705

IUPAC4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine
SMILESCOc1cc(-c2ccccc2)nc(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H16N2O/c1-13-8-10-15(11-9-13)18-19-16(12-17(20-18)21-2)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyKRPOGBRBYHMWMI-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.13
Rot. Bonds3

About 4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine

4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine (PubChem CID 12703705) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine
PubChem CID12703705
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine
SMILESCOc1cc(-c2ccccc2)nc(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H16N2O/c1-13-8-10-15(11-9-13)18-19-16(12-17(20-18)21-2)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyKRPOGBRBYHMWMI-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

2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(4-methylphenyl)-2-phenylpyrimidine
CID 135243270
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
4-methoxy-6-phenylpyrimidin-2-amine
CID 676910
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
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
4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 100981573
[6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine
CID 83864402
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine?
The IUPAC name of 4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine (CID 12703705) is 4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine is COc1cc(-c2ccccc2)nc(-c2ccc(C)cc2)n1.
What is the InChIKey of 4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine?
The InChIKey is KRPOGBRBYHMWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-8-10-15(11-9-13)18-19-16(12-17(20-18)21-2)14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of 4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine?
4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine 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-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 12703705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).