2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine

C22H17N3O — CID 134837723

IUPAC2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine
SMILESCOc1cc(-c2cccc(-c3nccc(-c4ccccc4)n3)c2)ccn1
InChIInChI=1S/C22H17N3O/c1-26-21-15-18(10-12-23-21)17-8-5-9-19(14-17)22-24-13-11-20(25-22)16-6-3-2-4-7-16/h2-15H,1H3
InChIKeyZZRWWVSNJRGHFC-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.88
Rot. Bonds4

About 2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine

2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine (PubChem CID 134837723) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine.

Molecular Properties

Compound Name2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine
PubChem CID134837723
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine
SMILESCOc1cc(-c2cccc(-c3nccc(-c4ccccc4)n3)c2)ccn1
InChIInChI=1S/C22H17N3O/c1-26-21-15-18(10-12-23-21)17-8-5-9-19(14-17)22-24-13-11-20(25-22)16-6-3-2-4-7-16/h2-15H,1H3
InChIKeyZZRWWVSNJRGHFC-UHFFFAOYSA-N
XLogP4.88
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
CID 102598819
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624
2,4-diphenylpyrimidine;yttrium
CID 59738567
2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
4-(3-phenylphenyl)-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 137389682
2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-1,3,5-triazine
CID 159229968
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine
CID 170970741
2,4-diphenylpyrimidine;triphenylene
CID 175536318
3-[4-(4-methylphenyl)pyrimidin-2-yl]aniline
CID 116898999
2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 158908680

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine?
The IUPAC name of 2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine (CID 134837723) is 2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine.
What is the SMILES notation for 2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine?
The canonical SMILES for 2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine is COc1cc(-c2cccc(-c3nccc(-c4ccccc4)n3)c2)ccn1.
What is the InChIKey of 2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine?
The InChIKey is ZZRWWVSNJRGHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-26-21-15-18(10-12-23-21)17-8-5-9-19(14-17)22-24-13-11-20(25-22)16-6-3-2-4-7-16/h2-15H,1H3.
What are the key properties of 2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine?
2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine has a molecular weight of 339.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine is sourced from PubChem (CID 134837723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).