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

C18H20N6O2S — CID 112860886

IUPAC4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cc(NCc3ccncc3)ncn2)cc1
InChIInChI=1S/C18H20N6O2S/c19-27(25,26)16-3-1-14(2-4-16)7-10-21-17-11-18(24-13-23-17)22-12-15-5-8-20-9-6-15/h1-6,8-9,11,13H,7,10,12H2,(H2,19,25,26)(H2,21,22,23,24)
InChIKeyRSAUYDLTHGOPJV-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.79
Rot. Bonds8

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

4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (PubChem CID 112860886) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
PubChem CID112860886
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cc(NCc3ccncc3)ncn2)cc1
InChIInChI=1S/C18H20N6O2S/c19-27(25,26)16-3-1-14(2-4-16)7-10-21-17-11-18(24-13-23-17)22-12-15-5-8-20-9-6-15/h1-6,8-9,11,13H,7,10,12H2,(H2,19,25,26)(H2,21,22,23,24)
InChIKeyRSAUYDLTHGOPJV-UHFFFAOYSA-N
XLogP1.79
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112859175
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
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-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide
CID 61253359
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 82907842
4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 112856046
4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80790889
6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860904
4-[2-[[6-(2,3-dimethylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112862444
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (CID 112860886) is 4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2cc(NCc3ccncc3)ncn2)cc1.
What is the InChIKey of 4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is RSAUYDLTHGOPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c19-27(25,26)16-3-1-14(2-4-16)7-10-21-17-11-18(24-13-23-17)22-12-15-5-8-20-9-6-15/h1-6,8-9,11,13H,7,10,12H2,(H2,19,25,26)(H2,21,22,23,24).
What are the key properties of 4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 384.47 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 112860886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).