4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one

C10H16N4O3S — CID 135515950

IUPAC4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H16N4O3S/c1-8-7-9(15)12-10(11-8)13-3-5-14(6-4-13)18(2,16)17/h7H,3-6H2,1-2H3,(H,11,12,15)
InChIKeyGRRAPSOADGKNLS-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.84
Rot. Bonds2

About 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one

4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135515950) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135515950
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H16N4O3S/c1-8-7-9(15)12-10(11-8)13-3-5-14(6-4-13)18(2,16)17/h7H,3-6H2,1-2H3,(H,11,12,15)
InChIKeyGRRAPSOADGKNLS-UHFFFAOYSA-N
XLogP-0.84
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135515950) is 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is GRRAPSOADGKNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-8-7-9(15)12-10(11-8)13-3-5-14(6-4-13)18(2,16)17/h7H,3-6H2,1-2H3,(H,11,12,15).
What are the key properties of 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 272.33 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135515950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).