N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide

C14H17N5OS — CID 77055888

IUPACN'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C14H17N5OS/c1-7-5-6-11(12(15)19-20)13(16-7)21-14-17-9(3)8(2)10(4)18-14/h5-6,20H,1-4H3,(H2,15,19)
InChIKeyYCLDVLNQYYSHJX-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.35
Rot. Bonds3

About N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide

N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide (PubChem CID 77055888) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide
PubChem CID77055888
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C14H17N5OS/c1-7-5-6-11(12(15)19-20)13(16-7)21-14-17-9(3)8(2)10(4)18-14/h5-6,20H,1-4H3,(H2,15,19)
InChIKeyYCLDVLNQYYSHJX-UHFFFAOYSA-N
XLogP2.35
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.35
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-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-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-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide
CID 76916444
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
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
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 6295052
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 53472036
2-fluoro-N'-hydroxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
CID 79516971
N'-hydroxy-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 76933124
N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide
CID 76916263
N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875360
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide (CID 77055888) is N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(Sc2nc(C)c(C)c(C)n2)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide?
The InChIKey is YCLDVLNQYYSHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-7-5-6-11(12(15)19-20)13(16-7)21-14-17-9(3)8(2)10(4)18-14/h5-6,20H,1-4H3,(H2,15,19).
What are the key properties of N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide has a molecular weight of 303.39 g/mol, XLogP of 2.35, 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-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide is sourced from PubChem (CID 77055888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).