6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine

C13H13N5OS — CID 107645395

IUPAC6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine
SMILESCOc1ncnc2c1nc(N)n2-c1ccccc1SC
InChIInChI=1S/C13H13N5OS/c1-19-12-10-11(15-7-16-12)18(13(14)17-10)8-5-3-4-6-9(8)20-2/h3-7H,1-2H3,(H2,14,17)
InChIKeyYXUBCCMRWJFQIG-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.13
Rot. Bonds3

About 6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine

6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine (PubChem CID 107645395) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine.

Molecular Properties

Compound Name6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine
PubChem CID107645395
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine
SMILESCOc1ncnc2c1nc(N)n2-c1ccccc1SC
InChIInChI=1S/C13H13N5OS/c1-19-12-10-11(15-7-16-12)18(13(14)17-10)8-5-3-4-6-9(8)20-2/h3-7H,1-2H3,(H2,14,17)
InChIKeyYXUBCCMRWJFQIG-UHFFFAOYSA-N
XLogP2.13
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine
CID 106760245
9-(2,6-dibromophenyl)-6-methoxypurin-8-amine
CID 107601316
4-(8-amino-6-methoxypurin-9-yl)-3-chlorobenzonitrile
CID 107809098
9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine
CID 107368239
6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
CID 107645401
6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 107645396
3-(2-methoxyphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288235
6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
CID 107645393
6-methoxy-9-octylpurin-8-amine
CID 115569133
9-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypurin-8-amine
CID 106036150
2-methoxy-6-(2-methylsulfanylphenoxy)pyridin-3-amine
CID 63648815
6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80880691

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine?
The IUPAC name of 6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine (CID 107645395) is 6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine.
What is the SMILES notation for 6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine?
The canonical SMILES for 6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine is COc1ncnc2c1nc(N)n2-c1ccccc1SC.
What is the InChIKey of 6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine?
The InChIKey is YXUBCCMRWJFQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-19-12-10-11(15-7-16-12)18(13(14)17-10)8-5-3-4-6-9(8)20-2/h3-7H,1-2H3,(H2,14,17).
What are the key properties of 6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine?
6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine has a molecular weight of 287.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine is sourced from PubChem (CID 107645395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).