4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide

C25H21N3O3 — CID 10621568

IUPAC4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(N)=O)cc3)nc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C25H21N3O3/c1-30-19-12-13-20(23(14-19)31-2)22-15-21(16-8-10-17(11-9-16)24(26)29)27-25(28-22)18-6-4-3-5-7-18/h3-15H,1-2H3,(H2,26,29)
InChIKeyNAFLPAGSVWKZPK-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.59
Rot. Bonds6

About 4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide

4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide (PubChem CID 10621568) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide
PubChem CID10621568
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(N)=O)cc3)nc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C25H21N3O3/c1-30-19-12-13-20(23(14-19)31-2)22-15-21(16-8-10-17(11-9-16)24(26)29)27-25(28-22)18-6-4-3-5-7-18/h3-15H,1-2H3,(H2,26,29)
InChIKeyNAFLPAGSVWKZPK-UHFFFAOYSA-N
XLogP4.59
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide?
The IUPAC name of 4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide (CID 10621568) is 4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide?
The canonical SMILES for 4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide is COc1ccc(-c2cc(-c3ccc(C(N)=O)cc3)nc(-c3ccccc3)n2)c(OC)c1.
What is the InChIKey of 4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide?
The InChIKey is NAFLPAGSVWKZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-30-19-12-13-20(23(14-19)31-2)22-15-21(16-8-10-17(11-9-16)24(26)29)27-25(28-22)18-6-4-3-5-7-18/h3-15H,1-2H3,(H2,26,29).
What are the key properties of 4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide?
4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide has a molecular weight of 411.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide is sourced from PubChem (CID 10621568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).