4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine

C20H24N6O3S — CID 56700187

IUPAC4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c(C)cc1C
InChIInChI=1S/C20H24N6O3S/c1-15-10-16(2)18(11-17(15)29-3)30(27,28)26-8-6-24(7-9-26)19-12-20(23-13-22-19)25-5-4-21-14-25/h4-5,10-14H,6-9H2,1-3H3
InChIKeyZKCFMNRXDGMAIL-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.80
Rot. Bonds5

About 4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine

4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 56700187) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID56700187
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC Name4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c(C)cc1C
InChIInChI=1S/C20H24N6O3S/c1-15-10-16(2)18(11-17(15)29-3)30(27,28)26-8-6-24(7-9-26)19-12-20(23-13-22-19)25-5-4-21-14-25/h4-5,10-14H,6-9H2,1-3H3
InChIKeyZKCFMNRXDGMAIL-UHFFFAOYSA-N
XLogP1.80
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343397
4-imidazol-1-yl-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700031
4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56919524
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine
CID 122338404
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072487
3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539670
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122341904
4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122341906
4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781297
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine
CID 56699356
6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349013
4-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 122338409

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 56700187) is 4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine is COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c(C)cc1C.
What is the InChIKey of 4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is ZKCFMNRXDGMAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-15-10-16(2)18(11-17(15)29-3)30(27,28)26-8-6-24(7-9-26)19-12-20(23-13-22-19)25-5-4-21-14-25/h4-5,10-14H,6-9H2,1-3H3.
What are the key properties of 4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 428.52 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 56700187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).