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

C22H23N3O — CID 11371386

IUPACN-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23N3O/c1-3-16(4-2)22(26)25-20-15-19(17-11-7-5-8-12-17)23-21(24-20)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,23,24,25,26)
InChIKeyZMYSFVQFZFGCMP-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.19
Rot. Bonds6

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

N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide (PubChem CID 11371386) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide
PubChem CID11371386
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23N3O/c1-3-16(4-2)22(26)25-20-15-19(17-11-7-5-8-12-17)23-21(24-20)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,23,24,25,26)
InChIKeyZMYSFVQFZFGCMP-UHFFFAOYSA-N
XLogP5.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine
CID 142806222
2-ethyl-N-(6-methyl-2-pyridinyl)butanamide
CID 5060766
N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine
CID 59340718
N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide
CID 148676240
1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone
CID 15871399
N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide
CID 4641253
2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide
CID 113044086
N-(4,6-diphenylpyrimidin-2-yl)propanamide
CID 11278089
2-ethyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 63820066
N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide?
The IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide (CID 11371386) is N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide?
The canonical SMILES for N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide?
The InChIKey is ZMYSFVQFZFGCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-16(4-2)22(26)25-20-15-19(17-11-7-5-8-12-17)23-21(24-20)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,23,24,25,26).
What are the key properties of N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide?
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide has a molecular weight of 345.45 g/mol, XLogP of 5.19, 6 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)-2-ethylbutanamide is sourced from PubChem (CID 11371386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).