6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one

C8H9N3OS — CID 67821056

IUPAC6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCSc1ncc2c(n1)CN(C)C2=O
InChIInChI=1S/C8H9N3OS/c1-11-4-6-5(7(11)12)3-9-8(10-6)13-2/h3H,4H2,1-2H3
InChIKeyWETIJAOTJNIXEZ-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.78
Rot. Bonds1

About 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one

6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 67821056) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID67821056
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCSc1ncc2c(n1)CN(C)C2=O
InChIInChI=1S/C8H9N3OS/c1-11-4-6-5(7(11)12)3-9-8(10-6)13-2/h3H,4H2,1-2H3
InChIKeyWETIJAOTJNIXEZ-UHFFFAOYSA-N
XLogP0.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 67821056) is 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one is CSc1ncc2c(n1)CN(C)C2=O.
What is the InChIKey of 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is WETIJAOTJNIXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-11-4-6-5(7(11)12)3-9-8(10-6)13-2/h3H,4H2,1-2H3.
What are the key properties of 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 195.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 67821056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).