2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide

C13H15N5OS — CID 137013920

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Sc2nc(C)cc(C)n2)n1
InChIInChI=1S/C13H15N5OS/c1-7-4-8(2)17-13(16-7)20-11-6-10(12(14)18-19)5-9(3)15-11/h4-6,19H,1-3H3,(H2,14,18)
InChIKeyOSKXXZKAXWFSML-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.04
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide (PubChem CID 137013920) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
PubChem CID137013920
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Sc2nc(C)cc(C)n2)n1
InChIInChI=1S/C13H15N5OS/c1-7-4-8(2)17-13(16-7)20-11-6-10(12(14)18-19)5-9(3)15-11/h4-6,19H,1-3H3,(H2,14,18)
InChIKeyOSKXXZKAXWFSML-UHFFFAOYSA-N
XLogP2.04
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013878
N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide
CID 137013908
5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide
CID 136990975
N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide
CID 137013924
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide
CID 102924931
2-methyl-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-4-carboximidamide
CID 114769659
N'-hydroxy-6-methyl-2-(4-propan-2-ylphenyl)sulfanylpyrimidine-4-carboximidamide
CID 136678340
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 102924939
N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide
CID 136925035
N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide
CID 136778518
N'-hydroxy-2-methyl-6-pyrazol-1-ylpyridine-4-carboximidamide
CID 137013664
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136794793

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide (CID 137013920) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(Sc2nc(C)cc(C)n2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The InChIKey is OSKXXZKAXWFSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-7-4-8(2)17-13(16-7)20-11-6-10(12(14)18-19)5-9(3)15-11/h4-6,19H,1-3H3,(H2,14,18).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide has a molecular weight of 289.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).