8-propan-2-ylsulfanyl-7H-purin-6-amine

C8H11N5S — CID 597624

IUPAC8-propan-2-ylsulfanyl-7H-purin-6-amine
SMILESCC(C)Sc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C8H11N5S/c1-4(2)14-8-12-5-6(9)10-3-11-7(5)13-8/h3-4H,1-2H3,(H3,9,10,11,12,13)
InChIKeyBIJOQOVJTJOJCF-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.44
Rot. Bonds2

About 8-propan-2-ylsulfanyl-7H-purin-6-amine

8-propan-2-ylsulfanyl-7H-purin-6-amine (PubChem CID 597624) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 8-propan-2-ylsulfanyl-7H-purin-6-amine.

Molecular Properties

Compound Name8-propan-2-ylsulfanyl-7H-purin-6-amine
PubChem CID597624
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name8-propan-2-ylsulfanyl-7H-purin-6-amine
SMILESCC(C)Sc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C8H11N5S/c1-4(2)14-8-12-5-6(9)10-3-11-7(5)13-8/h3-4H,1-2H3,(H3,9,10,11,12,13)
InChIKeyBIJOQOVJTJOJCF-UHFFFAOYSA-N
XLogP1.44
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylsulfanyl-7H-purin-6-amine?
The IUPAC name of 8-propan-2-ylsulfanyl-7H-purin-6-amine (CID 597624) is 8-propan-2-ylsulfanyl-7H-purin-6-amine.
What is the SMILES notation for 8-propan-2-ylsulfanyl-7H-purin-6-amine?
The canonical SMILES for 8-propan-2-ylsulfanyl-7H-purin-6-amine is CC(C)Sc1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-propan-2-ylsulfanyl-7H-purin-6-amine?
The InChIKey is BIJOQOVJTJOJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-4(2)14-8-12-5-6(9)10-3-11-7(5)13-8/h3-4H,1-2H3,(H3,9,10,11,12,13).
What are the key properties of 8-propan-2-ylsulfanyl-7H-purin-6-amine?
8-propan-2-ylsulfanyl-7H-purin-6-amine has a molecular weight of 209.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylsulfanyl-7H-purin-6-amine is sourced from PubChem (CID 597624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).