5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide

C12H13N5S — CID 113321389

IUPAC5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nc(C)cc(C)n2)cn1
InChIInChI=1S/C12H13N5S/c1-7-5-8(2)17-12(16-7)18-9-3-4-10(11(13)14)15-6-9/h3-6H,1-2H3,(H3,13,14)
InChIKeyTYTKOPXFPCXWDW-UHFFFAOYSA-N
MW259.34 g/mol
LogP1.92
Rot. Bonds3

About 5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide

5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide (PubChem CID 113321389) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
PubChem CID113321389
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nc(C)cc(C)n2)cn1
InChIInChI=1S/C12H13N5S/c1-7-5-8(2)17-12(16-7)18-9-3-4-10(11(13)14)15-6-9/h3-6H,1-2H3,(H3,13,14)
InChIKeyTYTKOPXFPCXWDW-UHFFFAOYSA-N
XLogP1.92
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide
CID 136990975
5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide
CID 115490136
5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide
CID 112736289
5-tert-butylsulfanylpyridine-2-carboximidamide
CID 71756587
6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide
CID 107551821
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-2-carboximidamide
CID 115490183
5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide
CID 115490097
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methylpyrimidine-4-carboximidamide
CID 107551904
5-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboximidamide
CID 115490181
5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide
CID 115490107
5-[(2-methylphenyl)methylsulfanyl]pyridine-2-carboximidamide
CID 113321392
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586531

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide?
The IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide (CID 113321389) is 5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide.
What is the SMILES notation for 5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide?
The canonical SMILES for 5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(Sc2nc(C)cc(C)n2)cn1.
What is the InChIKey of 5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide?
The InChIKey is TYTKOPXFPCXWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-7-5-8(2)17-12(16-7)18-9-3-4-10(11(13)14)15-6-9/h3-6H,1-2H3,(H3,13,14).
What are the key properties of 5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide?
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide has a molecular weight of 259.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide is sourced from PubChem (CID 113321389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).