2-phenylsulfanyl-7H-purin-6-amine

C11H9N5S — CID 69289751

IUPAC2-phenylsulfanyl-7H-purin-6-amine
SMILESNc1nc(Sc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C11H9N5S/c12-9-8-10(14-6-13-8)16-11(15-9)17-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16)
InChIKeyCJLXQVNBWLXJLB-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.09
Rot. Bonds2

About 2-phenylsulfanyl-7H-purin-6-amine

2-phenylsulfanyl-7H-purin-6-amine (PubChem CID 69289751) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-phenylsulfanyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-phenylsulfanyl-7H-purin-6-amine
PubChem CID69289751
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name2-phenylsulfanyl-7H-purin-6-amine
SMILESNc1nc(Sc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C11H9N5S/c12-9-8-10(14-6-13-8)16-11(15-9)17-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16)
InChIKeyCJLXQVNBWLXJLB-UHFFFAOYSA-N
XLogP2.09
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-7H-purin-6-amine?
The IUPAC name of 2-phenylsulfanyl-7H-purin-6-amine (CID 69289751) is 2-phenylsulfanyl-7H-purin-6-amine.
What is the SMILES notation for 2-phenylsulfanyl-7H-purin-6-amine?
The canonical SMILES for 2-phenylsulfanyl-7H-purin-6-amine is Nc1nc(Sc2ccccc2)nc2nc[nH]c12.
What is the InChIKey of 2-phenylsulfanyl-7H-purin-6-amine?
The InChIKey is CJLXQVNBWLXJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c12-9-8-10(14-6-13-8)16-11(15-9)17-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16).
What are the key properties of 2-phenylsulfanyl-7H-purin-6-amine?
2-phenylsulfanyl-7H-purin-6-amine has a molecular weight of 243.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-7H-purin-6-amine is sourced from PubChem (CID 69289751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).