4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine

C17H22N8O2S — CID 122338905

IUPAC4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
SMILESCc1nc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cn1C
InChIInChI=1S/C17H22N8O2S/c1-13-18-4-5-25(13)16-10-15(19-12-20-16)23-6-8-24(9-7-23)28(26,27)17-11-22(3)14(2)21-17/h4-5,10-12H,6-9H2,1-3H3
InChIKeyPXCWOGPXQMEWMT-UHFFFAOYSA-N
MW402.48 g/mol
LogP0.52
Rot. Bonds4

About 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine

4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine (PubChem CID 122338905) has the molecular formula C17H22N8O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
PubChem CID122338905
Molecular FormulaC17H22N8O2S
Molecular Weight402.48 g/mol
Exact Mass402.16
IUPAC Name4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
SMILESCc1nc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cn1C
InChIInChI=1S/C17H22N8O2S/c1-13-18-4-5-25(13)16-10-15(19-12-20-16)23-6-8-24(9-7-23)28(26,27)17-11-22(3)14(2)21-17/h4-5,10-12H,6-9H2,1-3H3
InChIKeyPXCWOGPXQMEWMT-UHFFFAOYSA-N
XLogP0.52
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 50.52
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-imidazol-1-ylpyrimidine
CID 122338404
4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(2-methylimidazol-1-yl)pyrimidine
CID 122338868
N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122338917
4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121074092
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 56699534
4-(4,5-dimethylimidazol-1-yl)-6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345271
4-(2-methylimidazol-1-yl)-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 122338878
4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 122338861
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339904
4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337413
6-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 122338902
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340437

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine?
The IUPAC name of 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine (CID 122338905) is 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine is Cc1nc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cn1C.
What is the InChIKey of 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine?
The InChIKey is PXCWOGPXQMEWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2S/c1-13-18-4-5-25(13)16-10-15(19-12-20-16)23-6-8-24(9-7-23)28(26,27)17-11-22(3)14(2)21-17/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine?
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine has a molecular weight of 402.48 g/mol, XLogP of 0.52, 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-(2-methylimidazol-1-yl)pyrimidine is sourced from PubChem (CID 122338905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).