4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

C18H26N6O2S — CID 112913985

IUPAC4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCc1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C18H26N6O2S/c1-14-13-17(22-18(21-14)24-11-9-23(2)10-12-24)20-8-7-15-3-5-16(6-4-15)27(19,25)26/h3-6,13H,7-12H2,1-2H3,(H2,19,25,26)(H,20,21,22)
InChIKeyUKKDBDLYIBQNOX-UHFFFAOYSA-N
MW390.51 g/mol
LogP0.84
Rot. Bonds6

About 4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (PubChem CID 112913985) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
PubChem CID112913985
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCc1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C18H26N6O2S/c1-14-13-17(22-18(21-14)24-11-9-23(2)10-12-24)20-8-7-15-3-5-16(6-4-15)27(19,25)26/h3-6,13H,7-12H2,1-2H3,(H2,19,25,26)(H,20,21,22)
InChIKeyUKKDBDLYIBQNOX-UHFFFAOYSA-N
XLogP0.84
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922508
4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922501
6-methyl-2-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 62191776
4-[2-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922513
6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112920054
1-[4-[4-methyl-6-(2-phenylethylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914983
4-[2-[[3-(azepan-1-yl)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955931
4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870
4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 91793394
4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922514
6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 112910888
4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
CID 120969031

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (CID 112913985) is 4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is Cc1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is UKKDBDLYIBQNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-14-13-17(22-18(21-14)24-11-9-23(2)10-12-24)20-8-7-15-3-5-16(6-4-15)27(19,25)26/h3-6,13H,7-12H2,1-2H3,(H2,19,25,26)(H,20,21,22).
What are the key properties of 4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 112913985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).