2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide

C16H27N5O4S — CID 136663290

IUPAC2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide
SMILESCCS(=O)(=O)N1CCN(CCNC(=O)Cc2nc(C)[nH]c(=O)c2C)CC1
InChIInChI=1S/C16H27N5O4S/c1-4-26(24,25)21-9-7-20(8-10-21)6-5-17-15(22)11-14-12(2)16(23)19-13(3)18-14/h4-11H2,1-3H3,(H,17,22)(H,18,19,23)
InChIKeyWEEVVQSHVAZDFI-UHFFFAOYSA-N
MW385.49 g/mol
LogP-0.99
Rot. Bonds7

About 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide

2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide (PubChem CID 136663290) has the molecular formula C16H27N5O4S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide
PubChem CID136663290
Molecular FormulaC16H27N5O4S
Molecular Weight385.49 g/mol
Exact Mass385.18
IUPAC Name2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide
SMILESCCS(=O)(=O)N1CCN(CCNC(=O)Cc2nc(C)[nH]c(=O)c2C)CC1
InChIInChI=1S/C16H27N5O4S/c1-4-26(24,25)21-9-7-20(8-10-21)6-5-17-15(22)11-14-12(2)16(23)19-13(3)18-14/h4-11H2,1-3H3,(H,17,22)(H,18,19,23)
InChIKeyWEEVVQSHVAZDFI-UHFFFAOYSA-N
XLogP-0.99
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 136663358
2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide
CID 91951837
2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 136663278
N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
CID 71689715
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 143940533
1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
CID 71689966
7-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959930
methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate
CID 47812170
2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 66966694
2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 21071886
2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196399
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30172111

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide (CID 136663290) is 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide is CCS(=O)(=O)N1CCN(CCNC(=O)Cc2nc(C)[nH]c(=O)c2C)CC1.
What is the InChIKey of 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is WEEVVQSHVAZDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4S/c1-4-26(24,25)21-9-7-20(8-10-21)6-5-17-15(22)11-14-12(2)16(23)19-13(3)18-14/h4-11H2,1-3H3,(H,17,22)(H,18,19,23).
What are the key properties of 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide?
2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 385.49 g/mol, XLogP of -0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 136663290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).