N-(2,6-diphenylpyrimidin-4-yl)butanamide

C20H19N3O — CID 11359018

IUPACN-(2,6-diphenylpyrimidin-4-yl)butanamide
SMILESCCCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19N3O/c1-2-9-19(24)22-18-14-17(15-10-5-3-6-11-15)21-20(23-18)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24)
InChIKeyUBJLQDSZSYHXLE-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.55
Rot. Bonds5

About N-(2,6-diphenylpyrimidin-4-yl)butanamide

N-(2,6-diphenylpyrimidin-4-yl)butanamide (PubChem CID 11359018) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2,6-diphenylpyrimidin-4-yl)butanamide.

Molecular Properties

Compound NameN-(2,6-diphenylpyrimidin-4-yl)butanamide
PubChem CID11359018
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-(2,6-diphenylpyrimidin-4-yl)butanamide
SMILESCCCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19N3O/c1-2-9-19(24)22-18-14-17(15-10-5-3-6-11-15)21-20(23-18)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24)
InChIKeyUBJLQDSZSYHXLE-UHFFFAOYSA-N
XLogP4.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)butanamide?
The IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)butanamide (CID 11359018) is N-(2,6-diphenylpyrimidin-4-yl)butanamide.
What is the SMILES notation for N-(2,6-diphenylpyrimidin-4-yl)butanamide?
The canonical SMILES for N-(2,6-diphenylpyrimidin-4-yl)butanamide is CCCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2,6-diphenylpyrimidin-4-yl)butanamide?
The InChIKey is UBJLQDSZSYHXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-2-9-19(24)22-18-14-17(15-10-5-3-6-11-15)21-20(23-18)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24).
What are the key properties of N-(2,6-diphenylpyrimidin-4-yl)butanamide?
N-(2,6-diphenylpyrimidin-4-yl)butanamide has a molecular weight of 317.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diphenylpyrimidin-4-yl)butanamide is sourced from PubChem (CID 11359018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).