4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide

C24H19N3O2 — CID 10762399

IUPAC4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide
SMILESCOc1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C24H19N3O2/c1-29-20-13-11-19(12-14-20)24-26-21(16-5-3-2-4-6-16)15-22(27-24)17-7-9-18(10-8-17)23(25)28/h2-15H,1H3,(H2,25,28)
InChIKeyKVMNZYSJKLQBGB-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.59
Rot. Bonds5

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

4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide (PubChem CID 10762399) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide
PubChem CID10762399
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide
SMILESCOc1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C24H19N3O2/c1-29-20-13-11-19(12-14-20)24-26-21(16-5-3-2-4-6-16)15-22(27-24)17-7-9-18(10-8-17)23(25)28/h2-15H,1H3,(H2,25,28)
InChIKeyKVMNZYSJKLQBGB-UHFFFAOYSA-N
XLogP4.59
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide?
The IUPAC name of 4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide (CID 10762399) is 4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide is COc1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(C(N)=O)cc3)n2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide?
The InChIKey is KVMNZYSJKLQBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-29-20-13-11-19(12-14-20)24-26-21(16-5-3-2-4-6-16)15-22(27-24)17-7-9-18(10-8-17)23(25)28/h2-15H,1H3,(H2,25,28).
What are the key properties of 4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide?
4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-6-phenylpyrimidin-4-yl]benzamide is sourced from PubChem (CID 10762399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).