4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine

C18H20N6O3S — CID 56919524

IUPAC4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCOc1cccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1
InChIInChI=1S/C18H20N6O3S/c1-27-15-3-2-4-16(11-15)28(25,26)24-9-7-22(8-10-24)17-12-18(21-13-20-17)23-6-5-19-14-23/h2-6,11-14H,7-10H2,1H3
InChIKeyVUUJKWWACIMISO-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.18
Rot. Bonds5

About 4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine

4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 56919524) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID56919524
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC Name4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCOc1cccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1
InChIInChI=1S/C18H20N6O3S/c1-27-15-3-2-4-16(11-15)28(25,26)24-9-7-22(8-10-24)17-12-18(21-13-20-17)23-6-5-19-14-23/h2-6,11-14H,7-10H2,1H3
InChIKeyVUUJKWWACIMISO-UHFFFAOYSA-N
XLogP1.18
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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]-2-methylpyrimidine
CID 56700230
4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700187
4-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyrimidine
CID 122338388
4-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 122338409
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 53071556
4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 56920545
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine
CID 122338404
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122341904
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine
CID 90539599
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 56919524) is 4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine is COc1cccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1.
What is the InChIKey of 4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is VUUJKWWACIMISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-27-15-3-2-4-16(11-15)28(25,26)24-9-7-22(8-10-24)17-12-18(21-13-20-17)23-6-5-19-14-23/h2-6,11-14H,7-10H2,1H3.
What are the key properties of 4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 400.46 g/mol, XLogP of 1.18, 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-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 56919524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).