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

C6H11N5O3S — CID 136974032

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESNc1c(NCCS(N)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C6H11N5O3S/c7-4-5(10-3-11-6(4)12)9-1-2-15(8,13)14/h3H,1-2,7H2,(H2,8,13,14)(H2,9,10,11,12)
InChIKeyGCNOSZCMKZUYOJ-UHFFFAOYSA-N
MW233.25 g/mol
LogP-1.95
Rot. Bonds4

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 136974032) has the molecular formula C6H11N5O3S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID136974032
Molecular FormulaC6H11N5O3S
Molecular Weight233.25 g/mol
Exact Mass233.06
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESNc1c(NCCS(N)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C6H11N5O3S/c7-4-5(10-3-11-6(4)12)9-1-2-15(8,13)14/h3H,1-2,7H2,(H2,8,13,14)(H2,9,10,11,12)
InChIKeyGCNOSZCMKZUYOJ-UHFFFAOYSA-N
XLogP-1.95
TPSA143.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]propane-1-sulfonamide
CID 20570031
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 136757538
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 136757539
N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
CID 136757541
N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
CID 136757563
N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
CID 136757566
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 136784799
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 136784801
N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
CID 136784806
5-amino-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136870784
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
CID 136956105
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
CID 136956107

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (CID 136974032) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is Nc1c(NCCS(N)(=O)=O)nc[nH]c1=O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is GCNOSZCMKZUYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O3S/c7-4-5(10-3-11-6(4)12)9-1-2-15(8,13)14/h3H,1-2,7H2,(H2,8,13,14)(H2,9,10,11,12).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of -1.95, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 136974032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).