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

C7H12N4O4S — CID 136974035

IUPAC2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCOc1c(NCCS(N)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C7H12N4O4S/c1-15-5-6(10-4-11-7(5)12)9-2-3-16(8,13)14/h4H,2-3H2,1H3,(H2,8,13,14)(H2,9,10,11,12)
InChIKeyULEVIRUMVYFHFE-UHFFFAOYSA-N
MW248.26 g/mol
LogP-1.52
Rot. Bonds5

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

2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 136974035) has the molecular formula C7H12N4O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID136974035
Molecular FormulaC7H12N4O4S
Molecular Weight248.26 g/mol
Exact Mass248.06
IUPAC Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCOc1c(NCCS(N)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C7H12N4O4S/c1-15-5-6(10-4-11-7(5)12)9-2-3-16(8,13)14/h4H,2-3H2,1H3,(H2,8,13,14)(H2,9,10,11,12)
InChIKeyULEVIRUMVYFHFE-UHFFFAOYSA-N
XLogP-1.52
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (CID 136974035) is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is COc1c(NCCS(N)(=O)=O)nc[nH]c1=O.
What is the InChIKey of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is ULEVIRUMVYFHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4S/c1-15-5-6(10-4-11-7(5)12)9-2-3-16(8,13)14/h4H,2-3H2,1H3,(H2,8,13,14)(H2,9,10,11,12).
What are the key properties of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 248.26 g/mol, XLogP of -1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 136974035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).