N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide

C9H8N6OS — CID 136678466

IUPACN'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Sc2ccncn2)n1
InChIInChI=1S/C9H8N6OS/c10-8(15-16)6-1-4-12-9(14-6)17-7-2-3-11-5-13-7/h1-5,16H,(H2,10,15)
InChIKeyHEDUMBFETZPTJO-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.51
Rot. Bonds3

About N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide

N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide (PubChem CID 136678466) has the molecular formula C9H8N6OS and a molecular weight of 248.27 g/mol. Its IUPAC name is N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide
PubChem CID136678466
Molecular FormulaC9H8N6OS
Molecular Weight248.27 g/mol
Exact Mass248.05
IUPAC NameN'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Sc2ccncn2)n1
InChIInChI=1S/C9H8N6OS/c10-8(15-16)6-1-4-12-9(14-6)17-7-2-3-11-5-13-7/h1-5,16H,(H2,10,15)
InChIKeyHEDUMBFETZPTJO-UHFFFAOYSA-N
XLogP0.51
TPSA110.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.51
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'}

Analyze N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-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

N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
CID 136678514
N'-hydroxy-2-(4-methoxyphenyl)sulfanylpyrimidine-4-carboximidamide
CID 136678350
N'-hydroxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carboximidamide
CID 136678356
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N'-hydroxypyrimidine-4-carboximidamide
CID 136986849
N'-hydroxy-2-(4-methylsulfonylphenyl)sulfanylpyrimidine-4-carboximidamide
CID 136678459
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide
CID 136678433
4-bromo-N'-hydroxy-2-pyrimidin-4-ylsulfanylbenzenecarboximidamide
CID 114905123
N'-hydroxy-2-(3-hydroxy-2-methylpropyl)sulfanylpyrimidine-4-carboximidamide
CID 136678480
N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide
CID 137095860
2-chloro-4-pyrimidin-4-ylsulfanylpyrimidine
CID 63697644
5-fluoro-N'-hydroxy-2-(pyrimidin-4-ylsulfanylmethyl)benzenecarboximidamide
CID 55226321
(NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine
CID 135713065

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide (CID 136678466) is N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide is N/C(=N/O)c1ccnc(Sc2ccncn2)n1.
What is the InChIKey of N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide?
The InChIKey is HEDUMBFETZPTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6OS/c10-8(15-16)6-1-4-12-9(14-6)17-7-2-3-11-5-13-7/h1-5,16H,(H2,10,15).
What are the key properties of N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide?
N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide has a molecular weight of 248.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136678466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).