pyrimidin-5-ylsulfonylurea

C5H6N4O3S — CID 19091292

IUPACpyrimidin-5-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)c1cncnc1
InChIInChI=1S/C5H6N4O3S/c6-5(10)9-13(11,12)4-1-7-3-8-2-4/h1-3H,(H3,6,9,10)
InChIKeyQIOQKGFUCHIDJP-UHFFFAOYSA-N
MW202.19 g/mol
LogP-1.17
Rot. Bonds2

About pyrimidin-5-ylsulfonylurea

pyrimidin-5-ylsulfonylurea (PubChem CID 19091292) has the molecular formula C5H6N4O3S and a molecular weight of 202.19 g/mol. Its IUPAC name is pyrimidin-5-ylsulfonylurea.

Molecular Properties

Compound Namepyrimidin-5-ylsulfonylurea
PubChem CID19091292
Molecular FormulaC5H6N4O3S
Molecular Weight202.19 g/mol
Exact Mass202.02
IUPAC Namepyrimidin-5-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)c1cncnc1
InChIInChI=1S/C5H6N4O3S/c6-5(10)9-13(11,12)4-1-7-3-8-2-4/h1-3H,(H3,6,9,10)
InChIKeyQIOQKGFUCHIDJP-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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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrimidin-5-ylsulfonylurea
CID 137404275
(4-methylphenyl)sulfonylurea;urea
CID 160676948
N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
CID 66730592
quinolin-3-ylsulfonylurea
CID 163964326
[4-(difluoromethyl)phenyl]sulfonylurea
CID 172769356
(3-chlorophenyl)sulfonylurea
CID 117060605
(3-methylphenyl)sulfonylurea
CID 46224904
(carbamoylamino) pyrimidine-5-carboxylate
CID 174908847
pyrimidine-5-carboxamide;tetrahydrochloride
CID 141352589
1H-imidazol-2-ylsulfonylurea
CID 54457951
S-[2-oxo-2-[4-(pyrimidin-5-ylsulfonylamino)phenyl]ethyl] ethanethioate
CID 11624484
N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide
CID 102922062

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-ylsulfonylurea?
The IUPAC name of pyrimidin-5-ylsulfonylurea (CID 19091292) is pyrimidin-5-ylsulfonylurea.
What is the SMILES notation for pyrimidin-5-ylsulfonylurea?
The canonical SMILES for pyrimidin-5-ylsulfonylurea is NC(=O)NS(=O)(=O)c1cncnc1.
What is the InChIKey of pyrimidin-5-ylsulfonylurea?
The InChIKey is QIOQKGFUCHIDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3S/c6-5(10)9-13(11,12)4-1-7-3-8-2-4/h1-3H,(H3,6,9,10).
What are the key properties of pyrimidin-5-ylsulfonylurea?
pyrimidin-5-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-5-ylsulfonylurea is sourced from PubChem (CID 19091292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).