N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide

C11H11N5OS — CID 76916444

IUPACN'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(Sc2ncccn2)n1
InChIInChI=1S/C11H11N5OS/c1-7-3-4-8(9(12)16-17)10(15-7)18-11-13-5-2-6-14-11/h2-6,17H,1H3,(H2,12,16)
InChIKeyYBUDGVVSCABNHU-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.43
Rot. Bonds3

About N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide

N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide (PubChem CID 76916444) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide
PubChem CID76916444
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC NameN'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(Sc2ncccn2)n1
InChIInChI=1S/C11H11N5OS/c1-7-3-4-8(9(12)16-17)10(15-7)18-11-13-5-2-6-14-11/h2-6,17H,1H3,(H2,12,16)
InChIKeyYBUDGVVSCABNHU-UHFFFAOYSA-N
XLogP1.43
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.43
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 N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-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

N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide
CID 77055888
6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid
CID 62701272
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 55223405
N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide
CID 76916406
N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide
CID 76889740
2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916377
2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916288
N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 43187791
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 6295052
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 53472036
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43187799

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide (CID 76916444) is N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(Sc2ncccn2)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide?
The InChIKey is YBUDGVVSCABNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-7-3-4-8(9(12)16-17)10(15-7)18-11-13-5-2-6-14-11/h2-6,17H,1H3,(H2,12,16).
What are the key properties of N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide has a molecular weight of 261.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide is sourced from PubChem (CID 76916444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).