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

C21H21N3O — CID 11473008

IUPACN-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O/c1-21(2,3)20(25)24-18-14-17(15-10-6-4-7-11-15)22-19(23-18)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,22,23,24,25)
InChIKeyKJCBHRQSYMTEIS-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.80
Rot. Bonds3

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

N-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide (PubChem CID 11473008) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide
PubChem CID11473008
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O/c1-21(2,3)20(25)24-18-14-17(15-10-6-4-7-11-15)22-19(23-18)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,22,23,24,25)
InChIKeyKJCBHRQSYMTEIS-UHFFFAOYSA-N
XLogP4.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

4,6-Diphenylpyrimidin-2-amine
CID 619024
Luf-5735
CID 11392960
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
N-(4,6-diphenylpyrimidin-2-yl)benzamide
CID 11314132
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N,N'-dibenzyl-6-methylpyrimidine-2,4-diamine
CID 697225
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide (CID 11473008) is N-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide?
The InChIKey is KJCBHRQSYMTEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-21(2,3)20(25)24-18-14-17(15-10-6-4-7-11-15)22-19(23-18)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,22,23,24,25).
What are the key properties of N-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide?
N-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 4.80, 3 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 11473008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).