3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine

C13H9N7S — CID 102988888

IUPAC3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1Sc1ncnc2nc[nH]c12
InChIInChI=1S/C13H9N7S/c14-10-13(20-8-4-2-1-3-7(8)19-10)21-12-9-11(16-5-15-9)17-6-18-12/h1-6H,(H2,14,19)(H,15,16,17,18)
InChIKeySBAJKANCLPHCET-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.03
Rot. Bonds2

About 3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine

3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine (PubChem CID 102988888) has the molecular formula C13H9N7S and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine
PubChem CID102988888
Molecular FormulaC13H9N7S
Molecular Weight295.33 g/mol
Exact Mass295.06
IUPAC Name3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1Sc1ncnc2nc[nH]c12
InChIInChI=1S/C13H9N7S/c14-10-13(20-8-4-2-1-3-7(8)19-10)21-12-9-11(16-5-15-9)17-6-18-12/h1-6H,(H2,14,19)(H,15,16,17,18)
InChIKeySBAJKANCLPHCET-UHFFFAOYSA-N
XLogP2.03
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide
CID 114409591
phenanthridine;7H-purin-6-amine
CID 90006324
6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine
CID 63588245
6-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-7H-purine
CID 114072791
3-bromo-4-(7H-purin-6-ylsulfanyl)aniline
CID 62253599
4-methyl-3-(7H-purin-6-ylsulfanyl)aniline
CID 62588886
2-[2-(7H-purin-6-ylsulfanyl)ethyl]aniline
CID 62497271
6-(3-chlorophenyl)sulfanyl-7H-purine
CID 514793
N-methyl-1-[2-(7H-purin-6-ylsulfanyl)phenyl]propan-1-amine
CID 115995838
7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
[5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80922564

Frequently Asked Questions

What is the IUPAC name of 3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine?
The IUPAC name of 3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine (CID 102988888) is 3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine?
The canonical SMILES for 3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine is Nc1nc2ccccc2nc1Sc1ncnc2nc[nH]c12.
What is the InChIKey of 3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine?
The InChIKey is SBAJKANCLPHCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N7S/c14-10-13(20-8-4-2-1-3-7(8)19-10)21-12-9-11(16-5-15-9)17-6-18-12/h1-6H,(H2,14,19)(H,15,16,17,18).
What are the key properties of 3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine?
3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine has a molecular weight of 295.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine is sourced from PubChem (CID 102988888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).