4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide

C17H25N5O2S — CID 112922501

IUPAC4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCCN(CC)c1nc(C)cc(NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H25N5O2S/c1-4-22(5-2)17-20-13(3)12-16(21-17)19-11-10-14-6-8-15(9-7-14)25(18,23)24/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,23,24)(H,19,20,21)
InChIKeyHWPNOKQXOHPENR-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.93
Rot. Bonds8

About 4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide

4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide (PubChem CID 112922501) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
PubChem CID112922501
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCCN(CC)c1nc(C)cc(NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H25N5O2S/c1-4-22(5-2)17-20-13(3)12-16(21-17)19-11-10-14-6-8-15(9-7-14)25(18,23)24/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,23,24)(H,19,20,21)
InChIKeyHWPNOKQXOHPENR-UHFFFAOYSA-N
XLogP1.93
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922513
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922602
2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109331655
4-[2-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922508
4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112913985
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922529
4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922514
4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955946
4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112921302
2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916376
4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
CID 70717745

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide (CID 112922501) is 4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide is CCN(CC)c1nc(C)cc(NCCc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is HWPNOKQXOHPENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-4-22(5-2)17-20-13(3)12-16(21-17)19-11-10-14-6-8-15(9-7-14)25(18,23)24/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,23,24)(H,19,20,21).
What are the key properties of 4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 363.49 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 112922501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).