2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one

C21H28N4O4S — CID 135933975

IUPAC2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)c(C)c1
InChIInChI=1S/C21H28N4O4S/c1-13-10-14(2)20(15(3)11-13)30(28,29)25-8-6-24(7-9-25)19(26)12-18-16(4)22-17(5)23-21(18)27/h10-11H,6-9,12H2,1-5H3,(H,22,23,27)
InChIKeyWNZXKNAQVXAFST-UHFFFAOYSA-N
MW432.55 g/mol
LogP1.39
Rot. Bonds4

About 2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 135933975) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID135933975
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)c(C)c1
InChIInChI=1S/C21H28N4O4S/c1-13-10-14(2)20(15(3)11-13)30(28,29)25-8-6-24(7-9-25)19(26)12-18-16(4)22-17(5)23-21(18)27/h10-11H,6-9,12H2,1-5H3,(H,22,23,27)
InChIKeyWNZXKNAQVXAFST-UHFFFAOYSA-N
XLogP1.39
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136911228
1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817632
5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 146043505
2,4-dimethyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 135933971
N,N-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 971390
N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 24537457
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 2981929
2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 71904260
(2S)-2-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 30288288
2,4-dimethyl-5-[2-oxo-2-(2-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)ethyl]-1H-pyrimidin-6-one
CID 163312730
2,4-dimethyl-5-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 135881334
(3R)-3-phenyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 7921552

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one (CID 135933975) is 2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one is Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is WNZXKNAQVXAFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-13-10-14(2)20(15(3)11-13)30(28,29)25-8-6-24(7-9-25)19(26)12-18-16(4)22-17(5)23-21(18)27/h10-11H,6-9,12H2,1-5H3,(H,22,23,27).
What are the key properties of 2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 432.55 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135933975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).