5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide

C11H9N7S — CID 115490148

IUPAC5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ncnc3nc[nH]c23)cn1
InChIInChI=1S/C11H9N7S/c12-9(13)7-2-1-6(3-14-7)19-11-8-10(16-4-15-8)17-5-18-11/h1-5H,(H3,12,13)(H,15,16,17,18)
InChIKeyHZGMKBBUBHHMTM-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.18
Rot. Bonds3

About 5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide

5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide (PubChem CID 115490148) has the molecular formula C11H9N7S and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide
PubChem CID115490148
Molecular FormulaC11H9N7S
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC Name5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ncnc3nc[nH]c23)cn1
InChIInChI=1S/C11H9N7S/c12-9(13)7-2-1-6(3-14-7)19-11-8-10(16-4-15-8)17-5-18-11/h1-5H,(H3,12,13)(H,15,16,17,18)
InChIKeyHZGMKBBUBHHMTM-UHFFFAOYSA-N
XLogP1.18
TPSA117.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[5-(7H-purin-6-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938174
2-bromo-3-fluoro-4-(7H-purin-6-ylsulfanyl)benzenecarboximidamide
CID 107537088
(1R)-1-[4-(7H-purin-6-ylsulfanyl)phenyl]ethanol
CID 78951419
5-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboximidamide
CID 115490181
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389
5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide
CID 115490136
5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide
CID 114409591
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide
CID 113321384
5-tert-butylsulfanylpyridine-2-carboximidamide
CID 71756587
5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide
CID 115490174
6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine
CID 140979996
6-(3-chlorophenyl)sulfanyl-7H-purine
CID 514793

Frequently Asked Questions

What is the IUPAC name of 5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide?
The IUPAC name of 5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide (CID 115490148) is 5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide?
The canonical SMILES for 5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(Sc2ncnc3nc[nH]c23)cn1.
What is the InChIKey of 5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide?
The InChIKey is HZGMKBBUBHHMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7S/c12-9(13)7-2-1-6(3-14-7)19-11-8-10(16-4-15-8)17-5-18-11/h1-5H,(H3,12,13)(H,15,16,17,18).
What are the key properties of 5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide?
5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide has a molecular weight of 271.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide is sourced from PubChem (CID 115490148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).