N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide

C21H21N3O — CID 11739042

IUPACN-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O/c1-15(2)13-20(25)23-19-14-18(16-9-5-3-6-10-16)22-21(24-19)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,22,23,24,25)
InChIKeyLUPWFOJGRCESTC-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.80
Rot. Bonds5

About N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide

N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide (PubChem CID 11739042) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide
PubChem CID11739042
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O/c1-15(2)13-20(25)23-19-14-18(16-9-5-3-6-10-16)22-21(24-19)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,22,23,24,25)
InChIKeyLUPWFOJGRCESTC-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)-3-methylbutanamide?
The IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide (CID 11739042) is N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide.
What is the SMILES notation for N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide?
The canonical SMILES for N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide?
The InChIKey is LUPWFOJGRCESTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15(2)13-20(25)23-19-14-18(16-9-5-3-6-10-16)22-21(24-19)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,22,23,24,25).
What are the key properties of N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide?
N-(2,6-diphenylpyrimidin-4-yl)-3-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)-3-methylbutanamide is sourced from PubChem (CID 11739042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).