6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione

C7H5N3O3 — CID 82409796

IUPAC6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione
SMILESCN1C(=O)c2cnc(=O)[nH]c2C1=O
InChIInChI=1S/C7H5N3O3/c1-10-5(11)3-2-8-7(13)9-4(3)6(10)12/h2H,1H3,(H,8,9,13)
InChIKeyHUQJKHYBWZPZHL-UHFFFAOYSA-N
MW179.13 g/mol
LogP-1.00
Rot. Bonds

About 6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione

6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione (PubChem CID 82409796) has the molecular formula C7H5N3O3 and a molecular weight of 179.13 g/mol. Its IUPAC name is 6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione.

Molecular Properties

Compound Name6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione
PubChem CID82409796
Molecular FormulaC7H5N3O3
Molecular Weight179.13 g/mol
Exact Mass179.03
IUPAC Name6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione
SMILESCN1C(=O)c2cnc(=O)[nH]c2C1=O
InChIInChI=1S/C7H5N3O3/c1-10-5(11)3-2-8-7(13)9-4(3)6(10)12/h2H,1H3,(H,8,9,13)
InChIKeyHUQJKHYBWZPZHL-UHFFFAOYSA-N
XLogP-1.00
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione 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-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione?
The IUPAC name of 6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione (CID 82409796) is 6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione.
What is the SMILES notation for 6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione?
The canonical SMILES for 6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione is CN1C(=O)c2cnc(=O)[nH]c2C1=O.
What is the InChIKey of 6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione?
The InChIKey is HUQJKHYBWZPZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c1-10-5(11)3-2-8-7(13)9-4(3)6(10)12/h2H,1H3,(H,8,9,13).
What are the key properties of 6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione?
6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione has a molecular weight of 179.13 g/mol, XLogP of -1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione is sourced from PubChem (CID 82409796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).