5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide

C10H9N5OS — CID 113321384

IUPAC5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nccc(=O)[nH]2)cn1
InChIInChI=1S/C10H9N5OS/c11-9(12)7-2-1-6(5-14-7)17-10-13-4-3-8(16)15-10/h1-5H,(H3,11,12)(H,13,15,16)
InChIKeyVTAHASDZKAXKMB-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.60
Rot. Bonds3

About 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide

5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide (PubChem CID 113321384) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide
PubChem CID113321384
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nccc(=O)[nH]2)cn1
InChIInChI=1S/C10H9N5OS/c11-9(12)7-2-1-6(5-14-7)17-10-13-4-3-8(16)15-10/h1-5H,(H3,11,12)(H,13,15,16)
InChIKeyVTAHASDZKAXKMB-UHFFFAOYSA-N
XLogP0.60
TPSA108.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide?
The IUPAC name of 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide (CID 113321384) is 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide?
The canonical SMILES for 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(Sc2nccc(=O)[nH]2)cn1.
What is the InChIKey of 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide?
The InChIKey is VTAHASDZKAXKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c11-9(12)7-2-1-6(5-14-7)17-10-13-4-3-8(16)15-10/h1-5H,(H3,11,12)(H,13,15,16).
What are the key properties of 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide?
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide has a molecular weight of 247.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide is sourced from PubChem (CID 113321384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).