pyrimidin-2-ylsulfonylurea

C5H6N4O3S — CID 23039256

IUPACpyrimidin-2-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)c1ncccn1
InChIInChI=1S/C5H6N4O3S/c6-4(10)9-13(11,12)5-7-2-1-3-8-5/h1-3H,(H3,6,9,10)
InChIKeyHGWNQLBXGHYTMN-UHFFFAOYSA-N
MW202.19 g/mol
LogP-1.17
Rot. Bonds2

About pyrimidin-2-ylsulfonylurea

pyrimidin-2-ylsulfonylurea (PubChem CID 23039256) has the molecular formula C5H6N4O3S and a molecular weight of 202.19 g/mol. Its IUPAC name is pyrimidin-2-ylsulfonylurea.

Molecular Properties

Compound Namepyrimidin-2-ylsulfonylurea
PubChem CID23039256
Molecular FormulaC5H6N4O3S
Molecular Weight202.19 g/mol
Exact Mass202.02
IUPAC Namepyrimidin-2-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)c1ncccn1
InChIInChI=1S/C5H6N4O3S/c6-4(10)9-13(11,12)5-7-2-1-3-8-5/h1-3H,(H3,6,9,10)
InChIKeyHGWNQLBXGHYTMN-UHFFFAOYSA-N
XLogP-1.17
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-ylsulfonylurea?
The IUPAC name of pyrimidin-2-ylsulfonylurea (CID 23039256) is pyrimidin-2-ylsulfonylurea.
What is the SMILES notation for pyrimidin-2-ylsulfonylurea?
The canonical SMILES for pyrimidin-2-ylsulfonylurea is NC(=O)NS(=O)(=O)c1ncccn1.
What is the InChIKey of pyrimidin-2-ylsulfonylurea?
The InChIKey is HGWNQLBXGHYTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3S/c6-4(10)9-13(11,12)5-7-2-1-3-8-5/h1-3H,(H3,6,9,10).
What are the key properties of pyrimidin-2-ylsulfonylurea?
pyrimidin-2-ylsulfonylurea has a molecular weight of 202.19 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-ylsulfonylurea is sourced from PubChem (CID 23039256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).