2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide

C6H9BrN4O3S — CID 136956107

IUPAC2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C6H9BrN4O3S/c7-4-5(10-3-11-6(4)12)9-1-2-15(8,13)14/h3H,1-2H2,(H2,8,13,14)(H2,9,10,11,12)
InChIKeyKFBIQJOVUXUXCE-UHFFFAOYSA-N
MW297.13 g/mol
LogP-0.77
Rot. Bonds4

About 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide

2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 136956107) has the molecular formula C6H9BrN4O3S and a molecular weight of 297.13 g/mol. Its IUPAC name is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID136956107
Molecular FormulaC6H9BrN4O3S
Molecular Weight297.13 g/mol
Exact Mass295.96
IUPAC Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C6H9BrN4O3S/c7-4-5(10-3-11-6(4)12)9-1-2-15(8,13)14/h3H,1-2H2,(H2,8,13,14)(H2,9,10,11,12)
InChIKeyKFBIQJOVUXUXCE-UHFFFAOYSA-N
XLogP-0.77
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (CID 136956107) is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is NS(=O)(=O)CCNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is KFBIQJOVUXUXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4O3S/c7-4-5(10-3-11-6(4)12)9-1-2-15(8,13)14/h3H,1-2H2,(H2,8,13,14)(H2,9,10,11,12).
What are the key properties of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 297.13 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 136956107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).