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

C21H21N3O — CID 11427528

IUPACN-(2,6-diphenylpyrimidin-4-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O/c1-3-15(2)21(25)24-19-14-18(16-10-6-4-7-11-16)22-20(23-19)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3,(H,22,23,24,25)
InChIKeyOWPSSUJQRJLQHE-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.80
Rot. Bonds5

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

N-(2,6-diphenylpyrimidin-4-yl)-2-methylbutanamide (PubChem CID 11427528) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2,6-diphenylpyrimidin-4-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2,6-diphenylpyrimidin-4-yl)-2-methylbutanamide
PubChem CID11427528
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(2,6-diphenylpyrimidin-4-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O/c1-3-15(2)21(25)24-19-14-18(16-10-6-4-7-11-16)22-20(23-19)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3,(H,22,23,24,25)
InChIKeyOWPSSUJQRJLQHE-UHFFFAOYSA-N
XLogP4.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.80
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)-2-methylbutanamide?
The IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)-2-methylbutanamide (CID 11427528) is N-(2,6-diphenylpyrimidin-4-yl)-2-methylbutanamide.
What is the SMILES notation for N-(2,6-diphenylpyrimidin-4-yl)-2-methylbutanamide?
The canonical SMILES for N-(2,6-diphenylpyrimidin-4-yl)-2-methylbutanamide is CCC(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2,6-diphenylpyrimidin-4-yl)-2-methylbutanamide?
The InChIKey is OWPSSUJQRJLQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-15(2)21(25)24-19-14-18(16-10-6-4-7-11-16)22-20(23-19)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3,(H,22,23,24,25).
What are the key properties of N-(2,6-diphenylpyrimidin-4-yl)-2-methylbutanamide?
N-(2,6-diphenylpyrimidin-4-yl)-2-methylbutanamide has a molecular weight of 331.42 g/mol, XLogP of 4.80, 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)-2-methylbutanamide is sourced from PubChem (CID 11427528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).