4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine

C17H26N8O2S — CID 122343615

IUPAC4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(N3CCN(S(=O)(=O)c4cn(C)cn4)CC3)ncn2)CC1
InChIInChI=1S/C17H26N8O2S/c1-21-3-5-23(6-4-21)15-11-16(19-13-18-15)24-7-9-25(10-8-24)28(26,27)17-12-22(2)14-20-17/h11-14H,3-10H2,1-2H3
InChIKeyPGDULBXRGFEJKU-UHFFFAOYSA-N
MW406.52 g/mol
LogP-0.53
Rot. Bonds4

About 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine

4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 122343615) has the molecular formula C17H26N8O2S and a molecular weight of 406.52 g/mol. Its IUPAC name is 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID122343615
Molecular FormulaC17H26N8O2S
Molecular Weight406.52 g/mol
Exact Mass406.19
IUPAC Name4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(N3CCN(S(=O)(=O)c4cn(C)cn4)CC3)ncn2)CC1
InChIInChI=1S/C17H26N8O2S/c1-21-3-5-23(6-4-21)15-11-16(19-13-18-15)24-7-9-25(10-8-24)28(26,27)17-12-22(2)14-20-17/h11-14H,3-10H2,1-2H3
InChIKeyPGDULBXRGFEJKU-UHFFFAOYSA-N
XLogP-0.53
TPSA90.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 56922206
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921727
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122338134
1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20958623
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921546
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343646
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933102
1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 66934082
4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 122343389
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122337639

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine (CID 122343615) is 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2cc(N3CCN(S(=O)(=O)c4cn(C)cn4)CC3)ncn2)CC1.
What is the InChIKey of 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is PGDULBXRGFEJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O2S/c1-21-3-5-23(6-4-21)15-11-16(19-13-18-15)24-7-9-25(10-8-24)28(26,27)17-12-22(2)14-20-17/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine?
4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 406.52 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 122343615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).