6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one

C9H11N3O — CID 21300280

IUPAC6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one
SMILESCN1C(=O)c2cncnc2C1(C)C
InChIInChI=1S/C9H11N3O/c1-9(2)7-6(4-10-5-11-7)8(13)12(9)3/h4-5H,1-3H3
InChIKeySBYGWGVBBVHJCR-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.80
Rot. Bonds

About 6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one

6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 21300280) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one
PubChem CID21300280
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one
SMILESCN1C(=O)c2cncnc2C1(C)C
InChIInChI=1S/C9H11N3O/c1-9(2)7-6(4-10-5-11-7)8(13)12(9)3/h4-5H,1-3H3
InChIKeySBYGWGVBBVHJCR-UHFFFAOYSA-N
XLogP0.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7,7-trimethylpyrrolo[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 6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one (CID 21300280) is 6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one is CN1C(=O)c2cncnc2C1(C)C.
What is the InChIKey of 6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is SBYGWGVBBVHJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-9(2)7-6(4-10-5-11-7)8(13)12(9)3/h4-5H,1-3H3.
What are the key properties of 6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one?
6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 177.21 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 21300280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).