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

C18H24N4O3S — CID 108781297

IUPAC4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2cc(C)ncn2)CC1
InChIInChI=1S/C18H24N4O3S/c1-13-9-16(25-4)17(10-14(13)2)26(23,24)22-7-5-21(6-8-22)18-11-15(3)19-12-20-18/h9-12H,5-8H2,1-4H3
InChIKeyLENHUGVJGATDSI-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.92
Rot. Bonds4

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

4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine (PubChem CID 108781297) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
PubChem CID108781297
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2cc(C)ncn2)CC1
InChIInChI=1S/C18H24N4O3S/c1-13-9-16(25-4)17(10-14(13)2)26(23,24)22-7-5-21(6-8-22)18-11-15(3)19-12-20-18/h9-12H,5-8H2,1-4H3
InChIKeyLENHUGVJGATDSI-UHFFFAOYSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol
CID 70368183
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072487
4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122341906
2-[4-(5-chloro-2-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine
CID 18566594
1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113075483
6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349013
4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoic acid
CID 108781305
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6458543
4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700187

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine?
The IUPAC name of 4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine (CID 108781297) is 4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine is COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2cc(C)ncn2)CC1.
What is the InChIKey of 4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine?
The InChIKey is LENHUGVJGATDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-9-16(25-4)17(10-14(13)2)26(23,24)22-7-5-21(6-8-22)18-11-15(3)19-12-20-18/h9-12H,5-8H2,1-4H3.
What are the key properties of 4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine?
4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine has a molecular weight of 376.48 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 108781297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).