6-methoxy-2-methylsulfanyl-7H-purine

C7H8N4OS — CID 119082313

IUPAC6-methoxy-2-methylsulfanyl-7H-purine
SMILESCOc1nc(SC)nc2nc[nH]c12
InChIInChI=1S/C7H8N4OS/c1-12-6-4-5(9-3-8-4)10-7(11-6)13-2/h3H,1-2H3,(H,8,9,10,11)
InChIKeyWAKLJZYKPFDWFV-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.08
Rot. Bonds2

About 6-methoxy-2-methylsulfanyl-7H-purine

6-methoxy-2-methylsulfanyl-7H-purine (PubChem CID 119082313) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 6-methoxy-2-methylsulfanyl-7H-purine.

Molecular Properties

Compound Name6-methoxy-2-methylsulfanyl-7H-purine
PubChem CID119082313
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name6-methoxy-2-methylsulfanyl-7H-purine
SMILESCOc1nc(SC)nc2nc[nH]c12
InChIInChI=1S/C7H8N4OS/c1-12-6-4-5(9-3-8-4)10-7(11-6)13-2/h3H,1-2H3,(H,8,9,10,11)
InChIKeyWAKLJZYKPFDWFV-UHFFFAOYSA-N
XLogP1.08
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-methylsulfanyl-7H-purin-6-amine
CID 25168541
5-fluoro-4-methoxy-1H-imidazole
CID 146393284
6-bromo-2-methoxy-7H-purine
CID 82391133
6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine
CID 106999464
7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 151063826
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
6-methoxy-7H-purin-1-ium-2-amine
CID 173027672
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
O-(2-aminooxy-7H-purin-6-yl)hydroxylamine
CID 141030940
4,6-dimethoxy-2-methylsulfanyl-5-phenylpyrimidine
CID 139072516
2-propan-2-ylsulfanyl-7H-purin-6-amine
CID 23562726
5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine
CID 83867203

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methylsulfanyl-7H-purine?
The IUPAC name of 6-methoxy-2-methylsulfanyl-7H-purine (CID 119082313) is 6-methoxy-2-methylsulfanyl-7H-purine.
What is the SMILES notation for 6-methoxy-2-methylsulfanyl-7H-purine?
The canonical SMILES for 6-methoxy-2-methylsulfanyl-7H-purine is COc1nc(SC)nc2nc[nH]c12.
What is the InChIKey of 6-methoxy-2-methylsulfanyl-7H-purine?
The InChIKey is WAKLJZYKPFDWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-12-6-4-5(9-3-8-4)10-7(11-6)13-2/h3H,1-2H3,(H,8,9,10,11).
What are the key properties of 6-methoxy-2-methylsulfanyl-7H-purine?
6-methoxy-2-methylsulfanyl-7H-purine has a molecular weight of 196.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylsulfanyl-7H-purine is sourced from PubChem (CID 119082313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).