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

C20H24N6O2S — CID 56699356

IUPAC4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)c1
InChIInChI=1S/C20H24N6O2S/c1-15-4-5-16(2)18(12-15)29(27,28)26-10-8-24(9-11-26)19-13-20(23-17(3)22-19)25-7-6-21-14-25/h4-7,12-14H,8-11H2,1-3H3
InChIKeySWKYPECEUBIVFL-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.10
Rot. Bonds4

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

4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine (PubChem CID 56699356) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine
PubChem CID56699356
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC Name4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)c1
InChIInChI=1S/C20H24N6O2S/c1-15-4-5-16(2)18(12-15)29(27,28)26-10-8-24(9-11-26)19-13-20(23-17(3)22-19)25-7-6-21-14-25/h4-7,12-14H,8-11H2,1-3H3
InChIKeySWKYPECEUBIVFL-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine
CID 56700392
4-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 122338679
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrol-1-ylpyrimidine
CID 122342293
(2,5-dimethylphenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699268
4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 56700168
4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 56700230
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 20896377
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine
CID 20896403
3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
CID 122341489
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921727
4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 31537658
4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 44826823

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine?
The IUPAC name of 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine (CID 56699356) is 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine.
What is the SMILES notation for 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine?
The canonical SMILES for 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine is Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)c1.
What is the InChIKey of 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine?
The InChIKey is SWKYPECEUBIVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-15-4-5-16(2)18(12-15)29(27,28)26-10-8-24(9-11-26)19-13-20(23-17(3)22-19)25-7-6-21-14-25/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine?
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine has a molecular weight of 412.52 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine is sourced from PubChem (CID 56699356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).