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

C12H16N6O2S — CID 20958622

IUPAC2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C12H16N6O2S/c1-16-9-11(15-10-16)21(19,20)18-7-5-17(6-8-18)12-13-3-2-4-14-12/h2-4,9-10H,5-8H2,1H3
InChIKeyXLKMRRUZYRGMHX-UHFFFAOYSA-N
MW308.37 g/mol
LogP-0.28
Rot. Bonds3

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

2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 20958622) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID20958622
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Name2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C12H16N6O2S/c1-16-9-11(15-10-16)21(19,20)18-7-5-17(6-8-18)12-13-3-2-4-14-12/h2-4,9-10H,5-8H2,1H3
InChIKeyXLKMRRUZYRGMHX-UHFFFAOYSA-N
XLogP-0.28
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Imidazo(1,2-a)pyrimidine-3-sulfonamide
CID 155920336
4-(1H-imidazol-1-yl)-2-methyl-6-(4-(propylsulfonyl)piperazin-1-yl)pyrimidine
CID 56700168
4-Methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine
CID 95824699
1-methyl-N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}-1H-imidazole-4-sulfonamide
CID 71806272
US11414402, Example 29
CID 137352967
Imidazo(1,2-a)pyrimidine-3-sulfonyl fluoride
CID 165942704
4-(1H-imidazol-1-yl)-6-(4-(propylsulfonyl)piperazin-1-yl)pyrimidine
CID 44072273
4-{4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazin-1-yl}-6-(1H-1,2,4-triazol-1-yl)pyrimidine
CID 76150676
Imidazo[1,2-a]pyrimidin-2-ylsulfonamide
CID 19809844
Imidazolo[1,2-a]pyrimidine-2-sulfonic acid
CID 21277613
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)-2-isopropyl-1-methyl-1H-imidazole-4-sulfonamide
CID 91814144
N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
CID 127993313

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine (CID 20958622) is 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine is Cn1cnc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is XLKMRRUZYRGMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-16-9-11(15-10-16)21(19,20)18-7-5-17(6-8-18)12-13-3-2-4-14-12/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine?
2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 308.37 g/mol, XLogP of -0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 20958622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).