5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one

C13H22N4O3S — CID 135515954

IUPAC5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(S(=O)(=O)CC)CC2)[nH]c1=O
InChIInChI=1S/C13H22N4O3S/c1-4-11-10(3)14-13(15-12(11)18)16-6-8-17(9-7-16)21(19,20)5-2/h4-9H2,1-3H3,(H,14,15,18)
InChIKeyUWPNSXJOCGQNFB-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.11
Rot. Bonds4

About 5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one

5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135515954) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135515954
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(S(=O)(=O)CC)CC2)[nH]c1=O
InChIInChI=1S/C13H22N4O3S/c1-4-11-10(3)14-13(15-12(11)18)16-6-8-17(9-7-16)21(19,20)5-2/h4-9H2,1-3H3,(H,14,15,18)
InChIKeyUWPNSXJOCGQNFB-UHFFFAOYSA-N
XLogP0.11
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135491325
5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 24845080
2-(4-ethylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 135417578
4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
CID 135462710
4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135473139
5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135417579
4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135644715
5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one
CID 136741023
2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135571633
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-hexyl-4-methyl-1H-pyrimidin-6-one
CID 136689559
2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one
CID 135762180
5-ethyl-4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 136923770

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one (CID 135515954) is 5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(N2CCN(S(=O)(=O)CC)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is UWPNSXJOCGQNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-4-11-10(3)14-13(15-12(11)18)16-6-8-17(9-7-16)21(19,20)5-2/h4-9H2,1-3H3,(H,14,15,18).
What are the key properties of 5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 314.41 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135515954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).