3,7-dimethyl-6-methylsulfanylpurin-2-one

C8H10N4OS — CID 10965766

IUPAC3,7-dimethyl-6-methylsulfanylpurin-2-one
SMILESCSc1nc(=O)n(C)c2ncn(C)c12
InChIInChI=1S/C8H10N4OS/c1-11-4-9-6-5(11)7(14-3)10-8(13)12(6)2/h4H,1-3H3
InChIKeyCWRBLCMTHRNCCO-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.39
Rot. Bonds1

About 3,7-dimethyl-6-methylsulfanylpurin-2-one

3,7-dimethyl-6-methylsulfanylpurin-2-one (PubChem CID 10965766) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 3,7-dimethyl-6-methylsulfanylpurin-2-one.

Molecular Properties

Compound Name3,7-dimethyl-6-methylsulfanylpurin-2-one
PubChem CID10965766
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name3,7-dimethyl-6-methylsulfanylpurin-2-one
SMILESCSc1nc(=O)n(C)c2ncn(C)c12
InChIInChI=1S/C8H10N4OS/c1-11-4-9-6-5(11)7(14-3)10-8(13)12(6)2/h4H,1-3H3
InChIKeyCWRBLCMTHRNCCO-UHFFFAOYSA-N
XLogP0.39
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-6-methylsulfanylpurin-2-one?
The IUPAC name of 3,7-dimethyl-6-methylsulfanylpurin-2-one (CID 10965766) is 3,7-dimethyl-6-methylsulfanylpurin-2-one.
What is the SMILES notation for 3,7-dimethyl-6-methylsulfanylpurin-2-one?
The canonical SMILES for 3,7-dimethyl-6-methylsulfanylpurin-2-one is CSc1nc(=O)n(C)c2ncn(C)c12.
What is the InChIKey of 3,7-dimethyl-6-methylsulfanylpurin-2-one?
The InChIKey is CWRBLCMTHRNCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-11-4-9-6-5(11)7(14-3)10-8(13)12(6)2/h4H,1-3H3.
What are the key properties of 3,7-dimethyl-6-methylsulfanylpurin-2-one?
3,7-dimethyl-6-methylsulfanylpurin-2-one has a molecular weight of 210.26 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-6-methylsulfanylpurin-2-one is sourced from PubChem (CID 10965766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).