2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide

C17H17N5O2S — CID 90314285

IUPAC2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1
InChIInChI=1S/C17H17N5O2S/c1-2-22-25(23,24)16-6-4-3-5-14(16)12-7-8-15(19-9-12)13-10-20-17(18)21-11-13/h3-11,22H,2H2,1H3,(H2,18,20,21)
InChIKeyPUHXVHVCGWZISP-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.09
Rot. Bonds5

About 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide

2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide (PubChem CID 90314285) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide
PubChem CID90314285
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1
InChIInChI=1S/C17H17N5O2S/c1-2-22-25(23,24)16-6-4-3-5-14(16)12-7-8-15(19-9-12)13-10-20-17(18)21-11-13/h3-11,22H,2H2,1H3,(H2,18,20,21)
InChIKeyPUHXVHVCGWZISP-UHFFFAOYSA-N
XLogP2.09
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 123140905
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 90314186
5-[2-[6-(2-methylpyrimidin-5-yl)-3-pyridinyl]phenyl]pyrimidin-2-amine
CID 118603090
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(2-methylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 90313500
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide
CID 144679215
2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 90329774
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-1,1-dihydroxypropan-2-yl]benzenesulfonamide
CID 137396116
2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 90329784
2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid
CID 123453367
2-[4-(5-amino-6-cyanopyrazin-2-yl)-3-fluorophenyl]-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 90326411
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide?
The IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide (CID 90314285) is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1.
What is the InChIKey of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide?
The InChIKey is PUHXVHVCGWZISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-2-22-25(23,24)16-6-4-3-5-14(16)12-7-8-15(19-9-12)13-10-20-17(18)21-11-13/h3-11,22H,2H2,1H3,(H2,18,20,21).
What are the key properties of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide?
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 90314285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).