2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide

C16H27N5O4S — CID 136663358

IUPAC2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide
SMILESCCCS(=O)(=O)N1CCN(CCNC(=O)Cc2nc[nH]c(=O)c2C)CC1
InChIInChI=1S/C16H27N5O4S/c1-3-10-26(24,25)21-8-6-20(7-9-21)5-4-17-15(22)11-14-13(2)16(23)19-12-18-14/h12H,3-11H2,1-2H3,(H,17,22)(H,18,19,23)
InChIKeyWJRGFVHVCXZGGF-UHFFFAOYSA-N
MW385.49 g/mol
LogP-0.91
Rot. Bonds8

About 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide

2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide (PubChem CID 136663358) has the molecular formula C16H27N5O4S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide
PubChem CID136663358
Molecular FormulaC16H27N5O4S
Molecular Weight385.49 g/mol
Exact Mass385.18
IUPAC Name2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide
SMILESCCCS(=O)(=O)N1CCN(CCNC(=O)Cc2nc[nH]c(=O)c2C)CC1
InChIInChI=1S/C16H27N5O4S/c1-3-10-26(24,25)21-8-6-20(7-9-21)5-4-17-15(22)11-14-13(2)16(23)19-12-18-14/h12H,3-11H2,1-2H3,(H,17,22)(H,18,19,23)
InChIKeyWJRGFVHVCXZGGF-UHFFFAOYSA-N
XLogP-0.91
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 136663290
2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide
CID 91951837
1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
CID 71689966
3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91949897
7-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959930
N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960165
N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
CID 71689715
5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 91956603
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 46456038
2-propan-2-yloxy-N-[2-[(E)-2-[2-(4-propylsulfonylpiperazin-1-yl)ethoxy]ethenoxy]ethyl]acetamide
CID 170639226
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 16881362

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide (CID 136663358) is 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide is CCCS(=O)(=O)N1CCN(CCNC(=O)Cc2nc[nH]c(=O)c2C)CC1.
What is the InChIKey of 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is WJRGFVHVCXZGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4S/c1-3-10-26(24,25)21-8-6-20(7-9-21)5-4-17-15(22)11-14-13(2)16(23)19-12-18-14/h12H,3-11H2,1-2H3,(H,17,22)(H,18,19,23).
What are the key properties of 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide?
2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 385.49 g/mol, XLogP of -0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 136663358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).