4-methoxy-5,6-diphenylpyrimidine

C17H14N2O — CID 824774

IUPAC4-methoxy-5,6-diphenylpyrimidine
SMILESCOc1ncnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H14N2O/c1-20-17-15(13-8-4-2-5-9-13)16(18-12-19-17)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyIBIGWFKKFUCUSC-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.82
Rot. Bonds3

About 4-methoxy-5,6-diphenylpyrimidine

4-methoxy-5,6-diphenylpyrimidine (PubChem CID 824774) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methoxy-5,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-methoxy-5,6-diphenylpyrimidine
PubChem CID824774
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name4-methoxy-5,6-diphenylpyrimidine
SMILESCOc1ncnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H14N2O/c1-20-17-15(13-8-4-2-5-9-13)16(18-12-19-17)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyIBIGWFKKFUCUSC-UHFFFAOYSA-N
XLogP3.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,6-diphenylpyrimidine?
The IUPAC name of 4-methoxy-5,6-diphenylpyrimidine (CID 824774) is 4-methoxy-5,6-diphenylpyrimidine.
What is the SMILES notation for 4-methoxy-5,6-diphenylpyrimidine?
The canonical SMILES for 4-methoxy-5,6-diphenylpyrimidine is COc1ncnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-methoxy-5,6-diphenylpyrimidine?
The InChIKey is IBIGWFKKFUCUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-20-17-15(13-8-4-2-5-9-13)16(18-12-19-17)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 4-methoxy-5,6-diphenylpyrimidine?
4-methoxy-5,6-diphenylpyrimidine has a molecular weight of 262.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,6-diphenylpyrimidine is sourced from PubChem (CID 824774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).