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

C8H11N5S — CID 23562726

IUPAC2-propan-2-ylsulfanyl-7H-purin-6-amine
SMILESCC(C)Sc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C8H11N5S/c1-4(2)14-8-12-6(9)5-7(13-8)11-3-10-5/h3-4H,1-2H3,(H3,9,10,11,12,13)
InChIKeyFGFBTRXTFXAPQL-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.44
Rot. Bonds2

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

2-propan-2-ylsulfanyl-7H-purin-6-amine (PubChem CID 23562726) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-7H-purin-6-amine
PubChem CID23562726
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name2-propan-2-ylsulfanyl-7H-purin-6-amine
SMILESCC(C)Sc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C8H11N5S/c1-4(2)14-8-12-6(9)5-7(13-8)11-3-10-5/h3-4H,1-2H3,(H3,9,10,11,12,13)
InChIKeyFGFBTRXTFXAPQL-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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Related Compounds

2-(2-methylbutylsulfanyl)-7H-purin-6-amine
CID 68896355
2-phenylsulfanyl-7H-purin-6-amine
CID 69289751
2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid
CID 5200989
2-ethyl-7H-purin-6-amine
CID 19795383
2-tert-butyl-7H-purin-6-amine
CID 21493394
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
CID 114788291
2-dimethylphosphoryl-7H-purin-6-amine
CID 170722670
bis(2-methyl-7H-purin-6-amine);sulfuric acid
CID 118855862
2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine
CID 153326115
2-(1-ethoxypropyl)-7H-purin-6-amine
CID 174819126
methyl 6-amino-7H-purine-2-carboxylate
CID 45089293

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-7H-purin-6-amine?
The IUPAC name of 2-propan-2-ylsulfanyl-7H-purin-6-amine (CID 23562726) is 2-propan-2-ylsulfanyl-7H-purin-6-amine.
What is the SMILES notation for 2-propan-2-ylsulfanyl-7H-purin-6-amine?
The canonical SMILES for 2-propan-2-ylsulfanyl-7H-purin-6-amine is CC(C)Sc1nc(N)c2[nH]cnc2n1.
What is the InChIKey of 2-propan-2-ylsulfanyl-7H-purin-6-amine?
The InChIKey is FGFBTRXTFXAPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-4(2)14-8-12-6(9)5-7(13-8)11-3-10-5/h3-4H,1-2H3,(H3,9,10,11,12,13).
What are the key properties of 2-propan-2-ylsulfanyl-7H-purin-6-amine?
2-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 2-propan-2-ylsulfanyl-7H-purin-6-amine is sourced from PubChem (CID 23562726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).