4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine

C18H24N4O6S — CID 42154829

IUPAC4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(OC)nc(OC)n3)CC2)c1
InChIInChI=1S/C18H24N4O6S/c1-25-13-5-6-14(26-2)15(11-13)29(23,24)22-9-7-21(8-10-22)16-12-17(27-3)20-18(19-16)28-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyNOXLOEPQLLCSSC-UHFFFAOYSA-N
MW424.48 g/mol
LogP1.02
Rot. Bonds7

About 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine

4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine (PubChem CID 42154829) has the molecular formula C18H24N4O6S and a molecular weight of 424.48 g/mol. Its IUPAC name is 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine
PubChem CID42154829
Molecular FormulaC18H24N4O6S
Molecular Weight424.48 g/mol
Exact Mass424.14
IUPAC Name4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(OC)nc(OC)n3)CC2)c1
InChIInChI=1S/C18H24N4O6S/c1-25-13-5-6-14(26-2)15(11-13)29(23,24)22-9-7-21(8-10-22)16-12-17(27-3)20-18(19-16)28-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyNOXLOEPQLLCSSC-UHFFFAOYSA-N
XLogP1.02
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473952
4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine
CID 42154688
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine
CID 121065332
4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 27477893
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110419116
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507124
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine
CID 42154871
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
CID 2052121

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine?
The IUPAC name of 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine (CID 42154829) is 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine?
The canonical SMILES for 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine is COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(OC)nc(OC)n3)CC2)c1.
What is the InChIKey of 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine?
The InChIKey is NOXLOEPQLLCSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O6S/c1-25-13-5-6-14(26-2)15(11-13)29(23,24)22-9-7-21(8-10-22)16-12-17(27-3)20-18(19-16)28-4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine?
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine has a molecular weight of 424.48 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine is sourced from PubChem (CID 42154829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).