2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine

C25H22N2O3 — CID 162669068

IUPAC2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCOc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O3/c1-28-22-14-19(15-23(29-2)24(22)30-3)21-16-20(17-10-6-4-7-11-17)26-25(27-21)18-12-8-5-9-13-18/h4-16H,1-3H3
InChIKeyGTQKAZZTTXXTGT-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.50
Rot. Bonds6

About 2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine

2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine (PubChem CID 162669068) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine
PubChem CID162669068
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCOc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O3/c1-28-22-14-19(15-23(29-2)24(22)30-3)21-16-20(17-10-6-4-7-11-17)26-25(27-21)18-12-8-5-9-13-18/h4-16H,1-3H3
InChIKeyGTQKAZZTTXXTGT-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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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine (CID 162669068) is 2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine is COc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of 2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The InChIKey is GTQKAZZTTXXTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-28-22-14-19(15-23(29-2)24(22)30-3)21-16-20(17-10-6-4-7-11-17)26-25(27-21)18-12-8-5-9-13-18/h4-16H,1-3H3.
What are the key properties of 2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
2,4-diphenyl-6-(3,4,5-trimethoxyphenyl)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-diphenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine is sourced from PubChem (CID 162669068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).