2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine

C5H7N5O2S — CID 54498940

IUPAC2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nccc(=S(=O)=O)[nH]1
InChIInChI=1S/C5H7N5O2S/c6-4(7)10-5-8-2-1-3(9-5)13(11)12/h1-2H,(H5,6,7,8,9,10)
InChIKeyYBBSQFWHSOQXRJ-UHFFFAOYSA-N
MW201.21 g/mol
LogP-1.27
Rot. Bonds1

About 2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine

2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine (PubChem CID 54498940) has the molecular formula C5H7N5O2S and a molecular weight of 201.21 g/mol. Its IUPAC name is 2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine
PubChem CID54498940
Molecular FormulaC5H7N5O2S
Molecular Weight201.21 g/mol
Exact Mass201.03
IUPAC Name2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nccc(=S(=O)=O)[nH]1
InChIInChI=1S/C5H7N5O2S/c6-4(7)10-5-8-2-1-3(9-5)13(11)12/h1-2H,(H5,6,7,8,9,10)
InChIKeyYBBSQFWHSOQXRJ-UHFFFAOYSA-N
XLogP-1.27
TPSA127.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine (CID 54498940) is 2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine is NC(N)=Nc1nccc(=S(=O)=O)[nH]1.
What is the InChIKey of 2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine?
The InChIKey is YBBSQFWHSOQXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2S/c6-4(7)10-5-8-2-1-3(9-5)13(11)12/h1-2H,(H5,6,7,8,9,10).
What are the key properties of 2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine?
2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine has a molecular weight of 201.21 g/mol, XLogP of -1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 54498940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).