6-(2-methylbutan-2-ylsulfanyl)-7H-purine

C10H14N4S — CID 3457706

IUPAC6-(2-methylbutan-2-ylsulfanyl)-7H-purine
SMILESCCC(C)(C)Sc1ncnc2nc[nH]c12
InChIInChI=1S/C10H14N4S/c1-4-10(2,3)15-9-7-8(12-5-11-7)13-6-14-9/h5-6H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyNVAPPQGNQBNNLD-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.63
Rot. Bonds3

About 6-(2-methylbutan-2-ylsulfanyl)-7H-purine

6-(2-methylbutan-2-ylsulfanyl)-7H-purine (PubChem CID 3457706) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 6-(2-methylbutan-2-ylsulfanyl)-7H-purine.

Molecular Properties

Compound Name6-(2-methylbutan-2-ylsulfanyl)-7H-purine
PubChem CID3457706
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name6-(2-methylbutan-2-ylsulfanyl)-7H-purine
SMILESCCC(C)(C)Sc1ncnc2nc[nH]c12
InChIInChI=1S/C10H14N4S/c1-4-10(2,3)15-9-7-8(12-5-11-7)13-6-14-9/h5-6H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyNVAPPQGNQBNNLD-UHFFFAOYSA-N
XLogP2.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-methylbutan-2-ylsulfanyl)-7H-purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methyl-2-(7H-purin-6-ylsulfanyl)propanoate
CID 756720
2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol
CID 79359571
6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
6-dodecylsulfanyl-7H-purine
CID 3778984
diethyl 2-(7H-purin-6-ylsulfanyl)propanedioate
CID 134066807
N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine
CID 64635042
2,2-dimethyl-5-(7H-purin-6-ylsulfanyl)pentanenitrile
CID 65257500
N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 62255575
ethyl 2-amino-2-methyl-3-(7H-purin-6-ylsulfanyl)propanoate
CID 55053300
1-(7H-purin-6-ylsulfanyl)pentan-2-one
CID 62255400
2-methyl-2-(methylamino)-6-(7H-purin-6-ylsulfanyl)hexanenitrile
CID 62253618
2-methyl-2-(methylamino)-6-(7H-purin-6-ylsulfanyl)hexanoic acid
CID 62253999

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-ylsulfanyl)-7H-purine?
The IUPAC name of 6-(2-methylbutan-2-ylsulfanyl)-7H-purine (CID 3457706) is 6-(2-methylbutan-2-ylsulfanyl)-7H-purine.
What is the SMILES notation for 6-(2-methylbutan-2-ylsulfanyl)-7H-purine?
The canonical SMILES for 6-(2-methylbutan-2-ylsulfanyl)-7H-purine is CCC(C)(C)Sc1ncnc2nc[nH]c12.
What is the InChIKey of 6-(2-methylbutan-2-ylsulfanyl)-7H-purine?
The InChIKey is NVAPPQGNQBNNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-4-10(2,3)15-9-7-8(12-5-11-7)13-6-14-9/h5-6H,4H2,1-3H3,(H,11,12,13,14).
What are the key properties of 6-(2-methylbutan-2-ylsulfanyl)-7H-purine?
6-(2-methylbutan-2-ylsulfanyl)-7H-purine has a molecular weight of 222.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-ylsulfanyl)-7H-purine is sourced from PubChem (CID 3457706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).