2,4,6-tris(4-methoxyphenyl)pyrimidine

C25H22N2O3 — CID 11784296

IUPAC2,4,6-tris(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)nc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C25H22N2O3/c1-28-20-10-4-17(5-11-20)23-16-24(18-6-12-21(29-2)13-7-18)27-25(26-23)19-8-14-22(30-3)15-9-19/h4-16H,1-3H3
InChIKeyUETMAIRNWZZFQI-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.50
Rot. Bonds6

About 2,4,6-tris(4-methoxyphenyl)pyrimidine

2,4,6-tris(4-methoxyphenyl)pyrimidine (PubChem CID 11784296) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2,4,6-tris(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2,4,6-tris(4-methoxyphenyl)pyrimidine
PubChem CID11784296
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name2,4,6-tris(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)nc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C25H22N2O3/c1-28-20-10-4-17(5-11-20)23-16-24(18-6-12-21(29-2)13-7-18)27-25(26-23)19-8-14-22(30-3)15-9-19/h4-16H,1-3H3
InChIKeyUETMAIRNWZZFQI-UHFFFAOYSA-N
XLogP5.50
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
CID 131698334
4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 118721631
[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649159
4-(3,4-dimethylphenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75360175
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium
CID 148962655
4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide
CID 10621568
4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine
CID 177437339
1-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744615
2-(4-methoxyphenyl)-6-methyl-4-phenylpyridine
CID 10333611

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-methoxyphenyl)pyrimidine?
The IUPAC name of 2,4,6-tris(4-methoxyphenyl)pyrimidine (CID 11784296) is 2,4,6-tris(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2,4,6-tris(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 2,4,6-tris(4-methoxyphenyl)pyrimidine is COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2,4,6-tris(4-methoxyphenyl)pyrimidine?
The InChIKey is UETMAIRNWZZFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-28-20-10-4-17(5-11-20)23-16-24(18-6-12-21(29-2)13-7-18)27-25(26-23)19-8-14-22(30-3)15-9-19/h4-16H,1-3H3.
What are the key properties of 2,4,6-tris(4-methoxyphenyl)pyrimidine?
2,4,6-tris(4-methoxyphenyl)pyrimidine has a molecular weight of 398.46 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 11784296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).