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

C25H21ClN2O3 — CID 162676430

IUPAC4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCOc1cc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H21ClN2O3/c1-29-22-13-18(14-23(30-2)24(22)31-3)21-15-20(16-9-11-19(26)12-10-16)27-25(28-21)17-7-5-4-6-8-17/h4-15H,1-3H3
InChIKeyJSGBMOHFWWUASM-UHFFFAOYSA-N
MW432.91 g/mol
LogP6.16
Rot. Bonds6

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

4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine (PubChem CID 162676430) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine
PubChem CID162676430
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC Name4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCOc1cc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H21ClN2O3/c1-29-22-13-18(14-23(30-2)24(22)31-3)21-15-20(16-9-11-19(26)12-10-16)27-25(28-21)17-7-5-4-6-8-17/h4-15H,1-3H3
InChIKeyJSGBMOHFWWUASM-UHFFFAOYSA-N
XLogP6.16
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine (CID 162676430) is 4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine is COc1cc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The InChIKey is JSGBMOHFWWUASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-29-22-13-18(14-23(30-2)24(22)31-3)21-15-20(16-9-11-19(26)12-10-16)27-25(28-21)17-7-5-4-6-8-17/h4-15H,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine has a molecular weight of 432.91 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine is sourced from PubChem (CID 162676430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).