2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide

C17H29N5O5S — CID 91951837

IUPAC2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide
SMILESCOCCS(=O)(=O)N1CCN(CCNC(=O)Cc2ncn(C)c(=O)c2C)CC1
InChIInChI=1S/C17H29N5O5S/c1-14-15(19-13-20(2)17(14)24)12-16(23)18-4-5-21-6-8-22(9-7-21)28(25,26)11-10-27-3/h13H,4-12H2,1-3H3,(H,18,23)
InChIKeyOTDRRLLNACKLPD-UHFFFAOYSA-N
MW415.52 g/mol
LogP-1.66
Rot. Bonds9

About 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide

2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 91951837) has the molecular formula C17H29N5O5S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide
PubChem CID91951837
Molecular FormulaC17H29N5O5S
Molecular Weight415.52 g/mol
Exact Mass415.19
IUPAC Name2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide
SMILESCOCCS(=O)(=O)N1CCN(CCNC(=O)Cc2ncn(C)c(=O)c2C)CC1
InChIInChI=1S/C17H29N5O5S/c1-14-15(19-13-20(2)17(14)24)12-16(23)18-4-5-21-6-8-22(9-7-21)28(25,26)11-10-27-3/h13H,4-12H2,1-3H3,(H,18,23)
InChIKeyOTDRRLLNACKLPD-UHFFFAOYSA-N
XLogP-1.66
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91949897
2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 136663290
3,5-dimethyl-6-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 91951779
N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954874
4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
CID 55010068
5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 55010115
1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
CID 71689966
2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol
CID 63310144
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-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960165

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide (CID 91951837) is 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide is COCCS(=O)(=O)N1CCN(CCNC(=O)Cc2ncn(C)c(=O)c2C)CC1.
What is the InChIKey of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is OTDRRLLNACKLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O5S/c1-14-15(19-13-20(2)17(14)24)12-16(23)18-4-5-21-6-8-22(9-7-21)28(25,26)11-10-27-3/h13H,4-12H2,1-3H3,(H,18,23).
What are the key properties of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide?
2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 415.52 g/mol, XLogP of -1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 91951837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).