6-tert-butyl-8-methylsulfanyl-7H-purine

C10H14N4S — CID 165348939

IUPAC6-tert-butyl-8-methylsulfanyl-7H-purine
SMILESCSc1nc2ncnc(C(C)(C)C)c2[nH]1
InChIInChI=1S/C10H14N4S/c1-10(2,3)7-6-8(12-5-11-7)14-9(13-6)15-4/h5H,1-4H3,(H,11,12,13,14)
InChIKeyZMRQSXJVOBTGIY-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.37
Rot. Bonds1

About 6-tert-butyl-8-methylsulfanyl-7H-purine

6-tert-butyl-8-methylsulfanyl-7H-purine (PubChem CID 165348939) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 6-tert-butyl-8-methylsulfanyl-7H-purine.

Molecular Properties

Compound Name6-tert-butyl-8-methylsulfanyl-7H-purine
PubChem CID165348939
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name6-tert-butyl-8-methylsulfanyl-7H-purine
SMILESCSc1nc2ncnc(C(C)(C)C)c2[nH]1
InChIInChI=1S/C10H14N4S/c1-10(2,3)7-6-8(12-5-11-7)14-9(13-6)15-4/h5H,1-4H3,(H,11,12,13,14)
InChIKeyZMRQSXJVOBTGIY-UHFFFAOYSA-N
XLogP2.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methylsulfanyl-7H-purin-6-amine
CID 935524
6-ethylsulfanyl-8-methylsulfanyl-7H-purine
CID 3760625
7-chloro-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine
CID 84669145
7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine
CID 84704317
2-methylsulfanyl-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 135441451
4-tert-butyl-5-fluoro-6-methylpyrimidine
CID 91170661
8-methylsulfanyl-7H-purine;7H-purin-8-amine
CID 159657386
6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride
CID 54602340
2-(6-chloro-7H-purin-8-yl)propan-2-ol
CID 119092431
ethane;8-methylsulfanyl-7H-purine-2-carboxylic acid
CID 145294968
N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine
CID 119091949
4,6-ditert-butyl-5-propan-2-ylpyrimidine
CID 59616923

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8-methylsulfanyl-7H-purine?
The IUPAC name of 6-tert-butyl-8-methylsulfanyl-7H-purine (CID 165348939) is 6-tert-butyl-8-methylsulfanyl-7H-purine.
What is the SMILES notation for 6-tert-butyl-8-methylsulfanyl-7H-purine?
The canonical SMILES for 6-tert-butyl-8-methylsulfanyl-7H-purine is CSc1nc2ncnc(C(C)(C)C)c2[nH]1.
What is the InChIKey of 6-tert-butyl-8-methylsulfanyl-7H-purine?
The InChIKey is ZMRQSXJVOBTGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-10(2,3)7-6-8(12-5-11-7)14-9(13-6)15-4/h5H,1-4H3,(H,11,12,13,14).
What are the key properties of 6-tert-butyl-8-methylsulfanyl-7H-purine?
6-tert-butyl-8-methylsulfanyl-7H-purine has a molecular weight of 222.32 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-8-methylsulfanyl-7H-purine is sourced from PubChem (CID 165348939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).