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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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).