2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine

C5H8N6S — CID 119097188

IUPAC2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine
SMILESNC(N)=Nc1c(N)[nH]cnc1=S
InChIInChI=1S/C5H8N6S/c6-3-2(11-5(7)8)4(12)10-1-9-3/h1H,(H4,7,8,11)(H3,6,9,10,12)
InChIKeyOAUDTMDCCNJYJF-UHFFFAOYSA-N
MW184.23 g/mol
LogP-0.37
Rot. Bonds1

About 2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine

2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine (PubChem CID 119097188) has the molecular formula C5H8N6S and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine.

Molecular Properties

Compound Name2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine
PubChem CID119097188
Molecular FormulaC5H8N6S
Molecular Weight184.23 g/mol
Exact Mass184.05
IUPAC Name2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine
SMILESNC(N)=Nc1c(N)[nH]cnc1=S
InChIInChI=1S/C5H8N6S/c6-3-2(11-5(7)8)4(12)10-1-9-3/h1H,(H4,7,8,11)(H3,6,9,10,12)
InChIKeyOAUDTMDCCNJYJF-UHFFFAOYSA-N
XLogP-0.37
TPSA119.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
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'}

Analyze 2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine?
The IUPAC name of 2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine (CID 119097188) is 2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine.
What is the SMILES notation for 2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine?
The canonical SMILES for 2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine is NC(N)=Nc1c(N)[nH]cnc1=S.
What is the InChIKey of 2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine?
The InChIKey is OAUDTMDCCNJYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6S/c6-3-2(11-5(7)8)4(12)10-1-9-3/h1H,(H4,7,8,11)(H3,6,9,10,12).
What are the key properties of 2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine?
2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine has a molecular weight of 184.23 g/mol, XLogP of -0.37, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)guanidine is sourced from PubChem (CID 119097188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).