1-pyrimidin-2-yl-3-sulfonylurea

C5H4N4O3S — CID 23043226

IUPAC1-pyrimidin-2-yl-3-sulfonylurea
SMILESO=C(N=S(=O)=O)Nc1ncccn1
InChIInChI=1S/C5H4N4O3S/c10-5(9-13(11)12)8-4-6-2-1-3-7-4/h1-3H,(H,6,7,8,10)
InChIKeyATWRQEGGIFHZSI-UHFFFAOYSA-N
MW200.18 g/mol
LogP0.07
Rot. Bonds1

About 1-pyrimidin-2-yl-3-sulfonylurea

1-pyrimidin-2-yl-3-sulfonylurea (PubChem CID 23043226) has the molecular formula C5H4N4O3S and a molecular weight of 200.18 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-3-sulfonylurea.

Molecular Properties

Compound Name1-pyrimidin-2-yl-3-sulfonylurea
PubChem CID23043226
Molecular FormulaC5H4N4O3S
Molecular Weight200.18 g/mol
Exact Mass200.00
IUPAC Name1-pyrimidin-2-yl-3-sulfonylurea
SMILESO=C(N=S(=O)=O)Nc1ncccn1
InChIInChI=1S/C5H4N4O3S/c10-5(9-13(11)12)8-4-6-2-1-3-7-4/h1-3H,(H,6,7,8,10)
InChIKeyATWRQEGGIFHZSI-UHFFFAOYSA-N
XLogP0.07
TPSA101.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-3-sulfonylurea?
The IUPAC name of 1-pyrimidin-2-yl-3-sulfonylurea (CID 23043226) is 1-pyrimidin-2-yl-3-sulfonylurea.
What is the SMILES notation for 1-pyrimidin-2-yl-3-sulfonylurea?
The canonical SMILES for 1-pyrimidin-2-yl-3-sulfonylurea is O=C(N=S(=O)=O)Nc1ncccn1.
What is the InChIKey of 1-pyrimidin-2-yl-3-sulfonylurea?
The InChIKey is ATWRQEGGIFHZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O3S/c10-5(9-13(11)12)8-4-6-2-1-3-7-4/h1-3H,(H,6,7,8,10).
What are the key properties of 1-pyrimidin-2-yl-3-sulfonylurea?
1-pyrimidin-2-yl-3-sulfonylurea has a molecular weight of 200.18 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-3-sulfonylurea is sourced from PubChem (CID 23043226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).