6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione

C8H8N4O2S — CID 135408970

IUPAC6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione
SMILESCSc1nc2[nH]c(=O)c(C)nc2c(=O)[nH]1
InChIInChI=1S/C8H8N4O2S/c1-3-6(13)10-5-4(9-3)7(14)12-8(11-5)15-2/h1-2H3,(H2,10,11,12,13,14)
InChIKeyBIVZDTOEJMRHRG-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.04
Rot. Bonds1

About 6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione

6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione (PubChem CID 135408970) has the molecular formula C8H8N4O2S and a molecular weight of 224.24 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione
PubChem CID135408970
Molecular FormulaC8H8N4O2S
Molecular Weight224.24 g/mol
Exact Mass224.04
IUPAC Name6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione
SMILESCSc1nc2[nH]c(=O)c(C)nc2c(=O)[nH]1
InChIInChI=1S/C8H8N4O2S/c1-3-6(13)10-5-4(9-3)7(14)12-8(11-5)15-2/h1-2H3,(H2,10,11,12,13,14)
InChIKeyBIVZDTOEJMRHRG-UHFFFAOYSA-N
XLogP0.04
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione?
The IUPAC name of 6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione (CID 135408970) is 6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione.
What is the SMILES notation for 6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione?
The canonical SMILES for 6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione is CSc1nc2[nH]c(=O)c(C)nc2c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione?
The InChIKey is BIVZDTOEJMRHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c1-3-6(13)10-5-4(9-3)7(14)12-8(11-5)15-2/h1-2H3,(H2,10,11,12,13,14).
What are the key properties of 6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione?
6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione has a molecular weight of 224.24 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanyl-3,8-dihydropteridine-4,7-dione is sourced from PubChem (CID 135408970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).