2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide

C10H12N6OS — CID 136678433

IUPAC2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide
SMILESCc1cc(Sc2nccc(/C(N)=N/O)n2)n(C)n1
InChIInChI=1S/C10H12N6OS/c1-6-5-8(16(2)14-6)18-10-12-4-3-7(13-10)9(11)15-17/h3-5,17H,1-2H3,(H2,11,15)
InChIKeyFTGFPIRXHHRNRA-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.76
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide

2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136678433) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136678433
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide
SMILESCc1cc(Sc2nccc(/C(N)=N/O)n2)n(C)n1
InChIInChI=1S/C10H12N6OS/c1-6-5-8(16(2)14-6)18-10-12-4-3-7(13-10)9(11)15-17/h3-5,17H,1-2H3,(H2,11,15)
InChIKeyFTGFPIRXHHRNRA-UHFFFAOYSA-N
XLogP0.76
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
CID 116798270
N'-hydroxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carboximidamide
CID 136678356
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136986806
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
CID 136678514
N'-hydroxy-2-(4-methoxyphenyl)sulfanylpyrimidine-4-carboximidamide
CID 136678350
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N'-hydroxypyrimidine-4-carboximidamide
CID 136986849
5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952356
N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide
CID 136678466
N'-hydroxy-2-(4-methylsulfonylphenyl)sulfanylpyrimidine-4-carboximidamide
CID 136678459
2-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 76945017
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103471063
5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide
CID 136990975

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide (CID 136678433) is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide is Cc1cc(Sc2nccc(/C(N)=N/O)n2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is FTGFPIRXHHRNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-6-5-8(16(2)14-6)18-10-12-4-3-7(13-10)9(11)15-17/h3-5,17H,1-2H3,(H2,11,15).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide?
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 264.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136678433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).