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

C22H23N3O — CID 11290921

IUPACN-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H23N3O/c1-3-16(4-2)21(26)25-22-23-19(17-11-7-5-8-12-17)15-20(24-22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,23,24,25,26)
InChIKeyYOARGGKKYZIYSU-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.19
Rot. Bonds6

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

N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutanamide (PubChem CID 11290921) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutanamide
PubChem CID11290921
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H23N3O/c1-3-16(4-2)21(26)25-22-23-19(17-11-7-5-8-12-17)15-20(24-22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,23,24,25,26)
InChIKeyYOARGGKKYZIYSU-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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Frequently Asked Questions

What is the IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutanamide?
The IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutanamide (CID 11290921) is N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutanamide?
The canonical SMILES for N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutanamide?
The InChIKey is YOARGGKKYZIYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-16(4-2)21(26)25-22-23-19(17-11-7-5-8-12-17)15-20(24-22)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-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutanamide?
N-(4,6-diphenylpyrimidin-2-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-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutanamide is sourced from PubChem (CID 11290921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).