2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine

C18H16N2O — CID 102587488

IUPAC2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine
SMILESCOc1ccc(-c2ccccc2-c2ncc(C)cn2)cc1
InChIInChI=1S/C18H16N2O/c1-13-11-19-18(20-12-13)17-6-4-3-5-16(17)14-7-9-15(21-2)10-8-14/h3-12H,1-2H3
InChIKeyWNPLIQGKHIRZDM-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.13
Rot. Bonds3

About 2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine

2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine (PubChem CID 102587488) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine
PubChem CID102587488
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine
SMILESCOc1ccc(-c2ccccc2-c2ncc(C)cn2)cc1
InChIInChI=1S/C18H16N2O/c1-13-11-19-18(20-12-13)17-6-4-3-5-16(17)14-7-9-15(21-2)10-8-14/h3-12H,1-2H3
InChIKeyWNPLIQGKHIRZDM-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine?
The IUPAC name of 2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine (CID 102587488) is 2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine is COc1ccc(-c2ccccc2-c2ncc(C)cn2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine?
The InChIKey is WNPLIQGKHIRZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-11-19-18(20-12-13)17-6-4-3-5-16(17)14-7-9-15(21-2)10-8-14/h3-12H,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine?
2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine 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 2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine is sourced from PubChem (CID 102587488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).