4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

C20H23N5O2S — CID 112861041

IUPAC4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cc(NCCc3ccccc3)ncn2)cc1
InChIInChI=1S/C20H23N5O2S/c21-28(26,27)18-8-6-17(7-9-18)11-13-23-20-14-19(24-15-25-20)22-12-10-16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H2,21,26,27)(H2,22,23,24,25)
InChIKeyTZBXFPNPOVOJJB-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.43
Rot. Bonds9

About 4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (PubChem CID 112861041) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
PubChem CID112861041
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cc(NCCc3ccccc3)ncn2)cc1
InChIInChI=1S/C20H23N5O2S/c21-28(26,27)18-8-6-17(7-9-18)11-13-23-20-14-19(24-15-25-20)22-12-10-16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H2,21,26,27)(H2,22,23,24,25)
InChIKeyTZBXFPNPOVOJJB-UHFFFAOYSA-N
XLogP2.43
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112855301
4-[2-[[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112859175
4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112860886
4-[2-[[6-(2,3-dimethylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112862444
4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 112856046
N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109339662
N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109344268
6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine
CID 115416444
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352293
N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109352286
6-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339858

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (CID 112861041) is 4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2cc(NCCc3ccccc3)ncn2)cc1.
What is the InChIKey of 4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is TZBXFPNPOVOJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c21-28(26,27)18-8-6-17(7-9-18)11-13-23-20-14-19(24-15-25-20)22-12-10-16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H2,21,26,27)(H2,22,23,24,25).
What are the key properties of 4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 2.43, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 112861041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).