4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine

C16H20N8O2S — CID 122338404

IUPAC4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine
SMILESCc1nc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cn1C
InChIInChI=1S/C16H20N8O2S/c1-13-20-16(10-21(13)2)27(25,26)24-7-5-22(6-8-24)14-9-15(19-11-18-14)23-4-3-17-12-23/h3-4,9-12H,5-8H2,1-2H3
InChIKeyRPPYGCVOILUQNX-UHFFFAOYSA-N
MW388.46 g/mol
LogP0.22
Rot. Bonds4

About 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine

4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine (PubChem CID 122338404) has the molecular formula C16H20N8O2S and a molecular weight of 388.46 g/mol. Its IUPAC name is 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine
PubChem CID122338404
Molecular FormulaC16H20N8O2S
Molecular Weight388.46 g/mol
Exact Mass388.14
IUPAC Name4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine
SMILESCc1nc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cn1C
InChIInChI=1S/C16H20N8O2S/c1-13-20-16(10-21(13)2)27(25,26)24-7-5-22(6-8-24)14-9-15(19-11-18-14)23-4-3-17-12-23/h3-4,9-12H,5-8H2,1-2H3
InChIKeyRPPYGCVOILUQNX-UHFFFAOYSA-N
XLogP0.22
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 122338905
4-imidazol-1-yl-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700031
4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700187
4-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 122338409
4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56919524
4-(4,5-dimethylimidazol-1-yl)-6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345271
4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343615
4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337413
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340437
4-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyrimidine
CID 122338388
3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
CID 122336258
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339904

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine?
The IUPAC name of 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine (CID 122338404) is 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine?
The canonical SMILES for 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine is Cc1nc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cn1C.
What is the InChIKey of 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine?
The InChIKey is RPPYGCVOILUQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O2S/c1-13-20-16(10-21(13)2)27(25,26)24-7-5-22(6-8-24)14-9-15(19-11-18-14)23-4-3-17-12-23/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine?
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine has a molecular weight of 388.46 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine is sourced from PubChem (CID 122338404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).