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

C19H21N5O2S — CID 90313296

IUPAC2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1
InChIInChI=1S/C19H21N5O2S/c1-19(2,3)24-27(25,26)17-7-5-4-6-15(17)13-8-9-16(21-10-13)14-11-22-18(20)23-12-14/h4-12,24H,1-3H3,(H2,20,22,23)
InChIKeyIRUCQZBBQVYUEZ-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.86
Rot. Bonds4

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

2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-tert-butylbenzenesulfonamide (PubChem CID 90313296) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-tert-butylbenzenesulfonamide
PubChem CID90313296
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1
InChIInChI=1S/C19H21N5O2S/c1-19(2,3)24-27(25,26)17-7-5-4-6-15(17)13-8-9-16(21-10-13)14-11-22-18(20)23-12-14/h4-12,24H,1-3H3,(H2,20,22,23)
InChIKeyIRUCQZBBQVYUEZ-UHFFFAOYSA-N
XLogP2.86
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
CID 16750106
1-[4-[4-[2-[3-(Diethylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]-3-methylurea
CID 71456728
hSMG-1 inhibitor 11e
CID 71458574
4-({4-[(2-Fluoro-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 6539017
5-{3-[(4-{3-[4-(1-Methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine
CID 56955955
1-Methyl-3-[4-[4-[2-(3-sulfamoylanilino)pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71449587
1-Methyl-3-[4-[4-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71453205
1-Methyl-3-[4-[4-[2-[4-methyl-3-(methylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71453206
1-[4-[4-[2-[3-(Diethylsulfamoyl)-4-methylanilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]-3-methylurea
CID 71454944
1-Methyl-3-[4-[4-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71458573
N-[[4-[[[2-(cyclopropylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]cyclohexyl]methyl]-3-fluorobenzenesulfonamide
CID 118716401
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 118716417

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-tert-butylbenzenesulfonamide?
The IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-tert-butylbenzenesulfonamide (CID 90313296) is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-tert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1.
What is the InChIKey of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-tert-butylbenzenesulfonamide?
The InChIKey is IRUCQZBBQVYUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-19(2,3)24-27(25,26)17-7-5-4-6-15(17)13-8-9-16(21-10-13)14-11-22-18(20)23-12-14/h4-12,24H,1-3H3,(H2,20,22,23).
What are the key properties of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-tert-butylbenzenesulfonamide?
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-tert-butylbenzenesulfonamide has a molecular weight of 383.48 g/mol, XLogP of 2.86, 4 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-tert-butylbenzenesulfonamide is sourced from PubChem (CID 90313296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).