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

C16H23N5O2S — CID 112855301

IUPAC4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCC(C)CNc1cc(NCCc2ccc(S(N)(=O)=O)cc2)ncn1
InChIInChI=1S/C16H23N5O2S/c1-12(2)10-19-16-9-15(20-11-21-16)18-8-7-13-3-5-14(6-4-13)24(17,22)23/h3-6,9,11-12H,7-8,10H2,1-2H3,(H2,17,22,23)(H2,18,19,20,21)
InChIKeyWETWYESFHLHTPE-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.85
Rot. Bonds8

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

4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (PubChem CID 112855301) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
PubChem CID112855301
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCC(C)CNc1cc(NCCc2ccc(S(N)(=O)=O)cc2)ncn1
InChIInChI=1S/C16H23N5O2S/c1-12(2)10-19-16-9-15(20-11-21-16)18-8-7-13-3-5-14(6-4-13)24(17,22)23/h3-6,9,11-12H,7-8,10H2,1-2H3,(H2,17,22,23)(H2,18,19,20,21)
InChIKeyWETWYESFHLHTPE-UHFFFAOYSA-N
XLogP1.85
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
4-[2-[[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112859175
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112860886
6-(3-methylbutylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352290
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-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109344268
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
N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109339662
2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 109248675

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (CID 112855301) is 4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is CC(C)CNc1cc(NCCc2ccc(S(N)(=O)=O)cc2)ncn1.
What is the InChIKey of 4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is WETWYESFHLHTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-12(2)10-19-16-9-15(20-11-21-16)18-8-7-13-3-5-14(6-4-13)24(17,22)23/h3-6,9,11-12H,7-8,10H2,1-2H3,(H2,17,22,23)(H2,18,19,20,21).
What are the key properties of 4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 112855301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).