8-methylsulfanyl-7H-purine;7H-purin-8-amine

C11H11N9S — CID 159657386

IUPAC8-methylsulfanyl-7H-purine;7H-purin-8-amine
SMILESCSc1nc2ncncc2[nH]1.Nc1nc2ncncc2[nH]1
InChIInChI=1S/C6H6N4S.C5H5N5/c1-11-6-9-4-2-7-3-8-5(4)10-6;6-5-9-3-1-7-2-8-4(3)10-5/h2-3H,1H3,(H,7,8,9,10);1-2H,(H3,6,7,8,9,10)
InChIKeyMSIQVYZBXMSCFG-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.01
Rot. Bonds1

About 8-methylsulfanyl-7H-purine;7H-purin-8-amine

8-methylsulfanyl-7H-purine;7H-purin-8-amine (PubChem CID 159657386) has the molecular formula C11H11N9S and a molecular weight of 301.34 g/mol. Its IUPAC name is 8-methylsulfanyl-7H-purine;7H-purin-8-amine.

Molecular Properties

Compound Name8-methylsulfanyl-7H-purine;7H-purin-8-amine
PubChem CID159657386
Molecular FormulaC11H11N9S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name8-methylsulfanyl-7H-purine;7H-purin-8-amine
SMILESCSc1nc2ncncc2[nH]1.Nc1nc2ncncc2[nH]1
InChIInChI=1S/C6H6N4S.C5H5N5/c1-11-6-9-4-2-7-3-8-5(4)10-6;6-5-9-3-1-7-2-8-4(3)10-5/h2-3H,1H3,(H,7,8,9,10);1-2H,(H3,6,7,8,9,10)
InChIKeyMSIQVYZBXMSCFG-UHFFFAOYSA-N
XLogP1.01
TPSA134.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617
2-methylsulfanyl-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 135441451
8-methylsulfanyl-7H-purin-6-amine
CID 935524
2-(7H-purin-8-ylsulfanyl)acetaldehyde
CID 82401322
N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine
CID 119091949
2-fluoro-7H-purin-8-amine
CID 142660293
1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine
CID 71104814
ethane;8-methylsulfanyl-7H-purine-2-carboxylic acid
CID 145294968
6-(7H-purin-8-yl)pyridin-2-amine
CID 114402104
2,6-dichloro-4-(7H-purin-8-yl)aniline
CID 114402139
4-(7H-purin-8-yl)pyridin-2-amine
CID 114402124
2-(7H-purin-8-yl)ethanamine
CID 83671812

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanyl-7H-purine;7H-purin-8-amine?
The IUPAC name of 8-methylsulfanyl-7H-purine;7H-purin-8-amine (CID 159657386) is 8-methylsulfanyl-7H-purine;7H-purin-8-amine.
What is the SMILES notation for 8-methylsulfanyl-7H-purine;7H-purin-8-amine?
The canonical SMILES for 8-methylsulfanyl-7H-purine;7H-purin-8-amine is CSc1nc2ncncc2[nH]1.Nc1nc2ncncc2[nH]1.
What is the InChIKey of 8-methylsulfanyl-7H-purine;7H-purin-8-amine?
The InChIKey is MSIQVYZBXMSCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S.C5H5N5/c1-11-6-9-4-2-7-3-8-5(4)10-6;6-5-9-3-1-7-2-8-4(3)10-5/h2-3H,1H3,(H,7,8,9,10);1-2H,(H3,6,7,8,9,10).
What are the key properties of 8-methylsulfanyl-7H-purine;7H-purin-8-amine?
8-methylsulfanyl-7H-purine;7H-purin-8-amine has a molecular weight of 301.34 g/mol, XLogP of 1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanyl-7H-purine;7H-purin-8-amine is sourced from PubChem (CID 159657386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).