1-methyl-7-methylsulfanylpteridine-2,4-dione

C8H8N4O2S — CID 822194

IUPAC1-methyl-7-methylsulfanylpteridine-2,4-dione
SMILESCSc1cnc2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C8H8N4O2S/c1-12-6-5(7(13)11-8(12)14)9-3-4(10-6)15-2/h3H,1-2H3,(H,11,13,14)
InChIKeyOKRUIWIACGZSQE-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.26
Rot. Bonds1

About 1-methyl-7-methylsulfanylpteridine-2,4-dione

1-methyl-7-methylsulfanylpteridine-2,4-dione (PubChem CID 822194) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-methyl-7-methylsulfanylpteridine-2,4-dione.

Molecular Properties

Compound Name1-methyl-7-methylsulfanylpteridine-2,4-dione
PubChem CID822194
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name1-methyl-7-methylsulfanylpteridine-2,4-dione
SMILESCSc1cnc2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C8H8N4O2S/c1-12-6-5(7(13)11-8(12)14)9-3-4(10-6)15-2/h3H,1-2H3,(H,11,13,14)
InChIKeyOKRUIWIACGZSQE-UHFFFAOYSA-N
XLogP-0.26
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-methylsulfanylpteridine-2,4-dione?
The IUPAC name of 1-methyl-7-methylsulfanylpteridine-2,4-dione (CID 822194) is 1-methyl-7-methylsulfanylpteridine-2,4-dione.
What is the SMILES notation for 1-methyl-7-methylsulfanylpteridine-2,4-dione?
The canonical SMILES for 1-methyl-7-methylsulfanylpteridine-2,4-dione is CSc1cnc2c(=O)[nH]c(=O)n(C)c2n1.
What is the InChIKey of 1-methyl-7-methylsulfanylpteridine-2,4-dione?
The InChIKey is OKRUIWIACGZSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c1-12-6-5(7(13)11-8(12)14)9-3-4(10-6)15-2/h3H,1-2H3,(H,11,13,14).
What are the key properties of 1-methyl-7-methylsulfanylpteridine-2,4-dione?
1-methyl-7-methylsulfanylpteridine-2,4-dione has a molecular weight of 224.25 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-methylsulfanylpteridine-2,4-dione is sourced from PubChem (CID 822194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).