6-benzylsulfanyl-7-methylpurin-2-amine

C13H13N5S — CID 166565035

IUPAC6-benzylsulfanyl-7-methylpurin-2-amine
SMILESCn1cnc2nc(N)nc(SCc3ccccc3)c21
InChIInChI=1S/C13H13N5S/c1-18-8-15-11-10(18)12(17-13(14)16-11)19-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,16,17)
InChIKeyOMWIHSWQKVYNRS-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.24
Rot. Bonds3

About 6-benzylsulfanyl-7-methylpurin-2-amine

6-benzylsulfanyl-7-methylpurin-2-amine (PubChem CID 166565035) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 6-benzylsulfanyl-7-methylpurin-2-amine.

Molecular Properties

Compound Name6-benzylsulfanyl-7-methylpurin-2-amine
PubChem CID166565035
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name6-benzylsulfanyl-7-methylpurin-2-amine
SMILESCn1cnc2nc(N)nc(SCc3ccccc3)c21
InChIInChI=1S/C13H13N5S/c1-18-8-15-11-10(18)12(17-13(14)16-11)19-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,16,17)
InChIKeyOMWIHSWQKVYNRS-UHFFFAOYSA-N
XLogP2.24
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzylsulfanyl-5-methylpyrimidin-2-amine
CID 80884331
4-benzylsulfanyl-5-chloropyrimidin-2-amine
CID 80887728
6-ethoxy-7-methylpurin-2-amine
CID 71574002
1-(5-benzylsulfanyl-3-methylimidazol-4-yl)-2-bromoethanone
CID 19810956
7-benzylsulfanyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine
CID 76847201
4-benzylsulfanyl-1-methylimidazole
CID 19810957
6-benzylsulfanyl-8-(4-methoxyphenyl)-7-methylpurine
CID 25186366
7-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylsulfanyl]-2H-triazolo[4,5-d]pyrimidin-5-amine
CID 130365206
6-benzylsulfanyl-5-ethylpyrimidin-4-amine
CID 80884151
5-[2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 54606657
2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile
CID 745538
6-benzylsulfanyl-5-propylpyrimidin-4-amine
CID 80887991

Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-7-methylpurin-2-amine?
The IUPAC name of 6-benzylsulfanyl-7-methylpurin-2-amine (CID 166565035) is 6-benzylsulfanyl-7-methylpurin-2-amine.
What is the SMILES notation for 6-benzylsulfanyl-7-methylpurin-2-amine?
The canonical SMILES for 6-benzylsulfanyl-7-methylpurin-2-amine is Cn1cnc2nc(N)nc(SCc3ccccc3)c21.
What is the InChIKey of 6-benzylsulfanyl-7-methylpurin-2-amine?
The InChIKey is OMWIHSWQKVYNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-18-8-15-11-10(18)12(17-13(14)16-11)19-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,16,17).
What are the key properties of 6-benzylsulfanyl-7-methylpurin-2-amine?
6-benzylsulfanyl-7-methylpurin-2-amine has a molecular weight of 271.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-7-methylpurin-2-amine is sourced from PubChem (CID 166565035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).