2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide

C12H10N6OS — CID 15944370

IUPAC2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide
SMILESO=C(CSc1ncnc2nc[nH]c12)Nc1ccccn1
InChIInChI=1S/C12H10N6OS/c19-9(18-8-3-1-2-4-13-8)5-20-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,13,18,19)(H,14,15,16,17)
InChIKeyYGBWQYJJFMGTDY-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.48
Rot. Bonds4

About 2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide

2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide (PubChem CID 15944370) has the molecular formula C12H10N6OS and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide
PubChem CID15944370
Molecular FormulaC12H10N6OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC Name2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide
SMILESO=C(CSc1ncnc2nc[nH]c12)Nc1ccccn1
InChIInChI=1S/C12H10N6OS/c19-9(18-8-3-1-2-4-13-8)5-20-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,13,18,19)(H,14,15,16,17)
InChIKeyYGBWQYJJFMGTDY-UHFFFAOYSA-N
XLogP1.48
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide (CID 15944370) is 2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide is O=C(CSc1ncnc2nc[nH]c12)Nc1ccccn1.
What is the InChIKey of 2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide?
The InChIKey is YGBWQYJJFMGTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS/c19-9(18-8-3-1-2-4-13-8)5-20-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,13,18,19)(H,14,15,16,17).
What are the key properties of 2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide?
2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide has a molecular weight of 286.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-6-ylsulfanyl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 15944370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).