5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide

C15H13BrN6O2S — CID 58981904

IUPAC5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cn1
InChIInChI=1S/C15H13BrN6O2S/c16-12-9-19-15(22-14(12)20-10-4-2-1-3-5-10)21-11-6-7-13(18-8-11)25(17,23)24/h1-9H,(H2,17,23,24)(H2,19,20,21,22)
InChIKeyXAGDGELEEHMDKD-UHFFFAOYSA-N
MW421.28 g/mol
LogP2.77
Rot. Bonds5

About 5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide

5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide (PubChem CID 58981904) has the molecular formula C15H13BrN6O2S and a molecular weight of 421.28 g/mol. Its IUPAC name is 5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide
PubChem CID58981904
Molecular FormulaC15H13BrN6O2S
Molecular Weight421.28 g/mol
Exact Mass420.00
IUPAC Name5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cn1
InChIInChI=1S/C15H13BrN6O2S/c16-12-9-19-15(22-14(12)20-10-4-2-1-3-5-10)21-11-6-7-13(18-8-11)25(17,23)24/h1-9H,(H2,17,23,24)(H2,19,20,21,22)
InChIKeyXAGDGELEEHMDKD-UHFFFAOYSA-N
XLogP2.77
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-2-N-[4-(dimethylamino)phenyl]-4-N-phenylpyrimidine-2,4-diamine
CID 11668111
5-bromo-2-N-(4-methylsulfanylphenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 59683156
5-[[5-bromo-4-[3-(cyclopropylamino)butan-2-ylamino]pyrimidin-2-yl]amino]pyridine-2-sulfonamide;5-[[5-bromo-4-(3-oxobutan-2-ylamino)pyrimidin-2-yl]amino]pyridine-2-sulfonamide
CID 159649105
5-bromo-4-N-phenyl-2-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]pyrimidine-2,4-diamine
CID 10275057
5-bromo-2-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]phenyl]-4-N-phenylpyrimidine-2,4-diamine
CID 18186480
5-bromo-2-N-[4-(oxiran-2-ylmethoxy)phenyl]-4-N-phenylpyrimidine-2,4-diamine
CID 18186486
2-[[5-bromo-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]-3-methylbutanoic acid
CID 68897781
4-[[5-bromo-4-[(4-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58890879
5-bromo-4-N-phenyl-2-N-[4-[3-(propan-2-ylamino)propoxy]phenyl]pyrimidine-2,4-diamine
CID 18186497
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
4-[[5-bromo-4-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 71732381
4-[[5-bromo-4-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide;hydrochloride
CID 131801086

Frequently Asked Questions

What is the IUPAC name of 5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide?
The IUPAC name of 5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide (CID 58981904) is 5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide?
The canonical SMILES for 5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide is NS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cn1.
What is the InChIKey of 5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide?
The InChIKey is XAGDGELEEHMDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN6O2S/c16-12-9-19-15(22-14(12)20-10-4-2-1-3-5-10)21-11-6-7-13(18-8-11)25(17,23)24/h1-9H,(H2,17,23,24)(H2,19,20,21,22).
What are the key properties of 5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide?
5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide has a molecular weight of 421.28 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide is sourced from PubChem (CID 58981904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).