4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine

C27H26N2O5 — CID 162667032

IUPAC4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C27H26N2O5/c1-30-19-11-12-20(23(15-19)31-2)22-16-21(28-27(29-22)17-9-7-6-8-10-17)18-13-24(32-3)26(34-5)25(14-18)33-4/h6-16H,1-5H3
InChIKeyZMLCTPZDDSWIKM-UHFFFAOYSA-N
MW458.51 g/mol
LogP5.52
Rot. Bonds8

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

4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine (PubChem CID 162667032) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine
PubChem CID162667032
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C27H26N2O5/c1-30-19-11-12-20(23(15-19)31-2)22-16-21(28-27(29-22)17-9-7-6-8-10-17)18-13-24(32-3)26(34-5)25(14-18)33-4/h6-16H,1-5H3
InChIKeyZMLCTPZDDSWIKM-UHFFFAOYSA-N
XLogP5.52
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine (CID 162667032) is 4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine is COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(-c3ccccc3)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The InChIKey is ZMLCTPZDDSWIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-30-19-11-12-20(23(15-19)31-2)22-16-21(28-27(29-22)17-9-7-6-8-10-17)18-13-24(32-3)26(34-5)25(14-18)33-4/h6-16H,1-5H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine has a molecular weight of 458.51 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine is sourced from PubChem (CID 162667032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).