2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide

C26H31N5O — CID 26376619

IUPAC2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3ccccc3-c3ccccc3)CC2)nc(C(C)C)n1
InChIInChI=1S/C26H31N5O/c1-19(2)26-27-20(3)17-24(29-26)31-15-13-30(14-16-31)18-25(32)28-23-12-8-7-11-22(23)21-9-5-4-6-10-21/h4-12,17,19H,13-16,18H2,1-3H3,(H,28,32)
InChIKeyZZKPOVZQCZEQNN-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.34
Rot. Bonds6

About 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide

2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide (PubChem CID 26376619) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
PubChem CID26376619
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3ccccc3-c3ccccc3)CC2)nc(C(C)C)n1
InChIInChI=1S/C26H31N5O/c1-19(2)26-27-20(3)17-24(29-26)31-15-13-30(14-16-31)18-25(32)28-23-12-8-7-11-22(23)21-9-5-4-6-10-21/h4-12,17,19H,13-16,18H2,1-3H3,(H,28,32)
InChIKeyZZKPOVZQCZEQNN-UHFFFAOYSA-N
XLogP4.34
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 34907603
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
CID 55432259
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 26376603
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 34907773
N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24507299
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24561171
N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 26376611
N-[1-(3-chlorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 42887409
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 26377217
2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 26376688
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 26376740
N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 34907224

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide (CID 26376619) is 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide is Cc1cc(N2CCN(CC(=O)Nc3ccccc3-c3ccccc3)CC2)nc(C(C)C)n1.
What is the InChIKey of 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide?
The InChIKey is ZZKPOVZQCZEQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-19(2)26-27-20(3)17-24(29-26)31-15-13-30(14-16-31)18-25(32)28-23-12-8-7-11-22(23)21-9-5-4-6-10-21/h4-12,17,19H,13-16,18H2,1-3H3,(H,28,32).
What are the key properties of 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide?
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide has a molecular weight of 429.57 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 26376619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).