2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide

C7H11BrN4O2S — CID 131140623

IUPAC2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCc1ncc(Br)c(NCCS(N)(=O)=O)n1
InChIInChI=1S/C7H11BrN4O2S/c1-5-11-4-6(8)7(12-5)10-2-3-15(9,13)14/h4H,2-3H2,1H3,(H2,9,13,14)(H,10,11,12)
InChIKeyZPWZFNFZJNGZQM-UHFFFAOYSA-N
MW295.16 g/mol
LogP0.25
Rot. Bonds4

About 2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide

2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 131140623) has the molecular formula C7H11BrN4O2S and a molecular weight of 295.16 g/mol. Its IUPAC name is 2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID131140623
Molecular FormulaC7H11BrN4O2S
Molecular Weight295.16 g/mol
Exact Mass293.98
IUPAC Name2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCc1ncc(Br)c(NCCS(N)(=O)=O)n1
InChIInChI=1S/C7H11BrN4O2S/c1-5-11-4-6(8)7(12-5)10-2-3-15(9,13)14/h4H,2-3H2,1H3,(H2,9,13,14)(H,10,11,12)
InChIKeyZPWZFNFZJNGZQM-UHFFFAOYSA-N
XLogP0.25
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 119026670
2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide
CID 66340107
3-[(2-amino-5-bromopyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80819569
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80787729
2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide
CID 81132077
5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 143967158
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787091
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80906224
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 79080717
2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide
CID 103332316
N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
CID 50970084
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide (CID 131140623) is 2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide is Cc1ncc(Br)c(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is ZPWZFNFZJNGZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O2S/c1-5-11-4-6(8)7(12-5)10-2-3-15(9,13)14/h4H,2-3H2,1H3,(H2,9,13,14)(H,10,11,12).
What are the key properties of 2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide?
2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 295.16 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 131140623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).