N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide

C20H26FN5O — CID 133416210

IUPACN-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCCc1ncnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1F
InChIInChI=1S/C20H26FN5O/c1-4-16-18(21)20(23-13-22-16)26-10-8-25(9-11-26)12-17(27)24-19-14(2)6-5-7-15(19)3/h5-7,13H,4,8-12H2,1-3H3,(H,24,27)
InChIKeyZEEAFMCODWDKBI-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.56
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 133416210) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID133416210
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCCc1ncnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1F
InChIInChI=1S/C20H26FN5O/c1-4-16-18(21)20(23-13-22-16)26-10-8-25(9-11-26)12-17(27)24-19-14(2)6-5-7-15(19)3/h5-7,13H,4,8-12H2,1-3H3,(H,24,27)
InChIKeyZEEAFMCODWDKBI-UHFFFAOYSA-N
XLogP2.56
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide
CID 133418675
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 136559335
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 35919031
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9435782
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9435760
1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 103880054
2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 133424264
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
N-(2,6-dimethylphenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8917545

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide (CID 133416210) is N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide is CCc1ncnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1F.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is ZEEAFMCODWDKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-4-16-18(21)20(23-13-22-16)26-10-8-25(9-11-26)12-17(27)24-19-14(2)6-5-7-15(19)3/h5-7,13H,4,8-12H2,1-3H3,(H,24,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133416210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).