4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine

C24H20N2O2 — CID 58604283

IUPAC4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H20N2O2/c1-27-20-12-8-17(9-13-20)22-16-23(18-10-14-21(28-2)15-11-18)26-24(25-22)19-6-4-3-5-7-19/h3-16H,1-2H3
InChIKeyYFEXZAJAJUDFEO-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.49
Rot. Bonds5

About 4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine

4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine (PubChem CID 58604283) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine
PubChem CID58604283
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H20N2O2/c1-27-20-12-8-17(9-13-20)22-16-23(18-10-14-21(28-2)15-11-18)26-24(25-22)19-6-4-3-5-7-19/h3-16H,1-2H3
InChIKeyYFEXZAJAJUDFEO-UHFFFAOYSA-N
XLogP5.49
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine?
The IUPAC name of 4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine (CID 58604283) is 4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine is COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine?
The InChIKey is YFEXZAJAJUDFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-27-20-12-8-17(9-13-20)22-16-23(18-10-14-21(28-2)15-11-18)26-24(25-22)19-6-4-3-5-7-19/h3-16H,1-2H3.
What are the key properties of 4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine?
4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine has a molecular weight of 368.44 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-methoxyphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 58604283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).