methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide

C8H13IN4S — CID 173430356

IUPACmethyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide
SMILESCS/C(N)=N\c1cc(C)nc(C)n1.I
InChIInChI=1S/C8H12N4S.HI/c1-5-4-7(11-6(2)10-5)12-8(9)13-3;/h4H,1-3H3,(H2,9,10,11,12);1H
InChIKeyKRHURFWJPSFNGO-UHFFFAOYSA-N
MW324.19 g/mol
LogP2.02
Rot. Bonds1

About methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide

methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide (PubChem CID 173430356) has the molecular formula C8H13IN4S and a molecular weight of 324.19 g/mol. Its IUPAC name is methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide.

Molecular Properties

Compound Namemethyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide
PubChem CID173430356
Molecular FormulaC8H13IN4S
Molecular Weight324.19 g/mol
Exact Mass323.99
IUPAC Namemethyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide
SMILESCS/C(N)=N\c1cc(C)nc(C)n1.I
InChIInChI=1S/C8H12N4S.HI/c1-5-4-7(11-6(2)10-5)12-8(9)13-3;/h4H,1-3H3,(H2,9,10,11,12);1H
InChIKeyKRHURFWJPSFNGO-UHFFFAOYSA-N
XLogP2.02
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
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': 'iodine', 'substructure': 'N/A'}

Analyze methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide 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 methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide?
The IUPAC name of methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide (CID 173430356) is methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide.
What is the SMILES notation for methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide?
The canonical SMILES for methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide is CS/C(N)=N\c1cc(C)nc(C)n1.I.
What is the InChIKey of methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide?
The InChIKey is KRHURFWJPSFNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S.HI/c1-5-4-7(11-6(2)10-5)12-8(9)13-3;/h4H,1-3H3,(H2,9,10,11,12);1H.
What are the key properties of methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide?
methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide has a molecular weight of 324.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(2,6-dimethylpyrimidin-4-yl)carbamimidothioate;hydroiodide is sourced from PubChem (CID 173430356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).