1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione

C8H9N3O2 — CID 164955084

IUPAC1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCC1=Nc2c(c(=O)[nH]c(=O)n2C)C1
InChIInChI=1S/C8H9N3O2/c1-4-3-5-6(9-4)11(2)8(13)10-7(5)12/h3H2,1-2H3,(H,10,12,13)
InChIKeyXYSZLBLPKWDCKY-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.28
Rot. Bonds

About 1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione

1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 164955084) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID164955084
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCC1=Nc2c(c(=O)[nH]c(=O)n2C)C1
InChIInChI=1S/C8H9N3O2/c1-4-3-5-6(9-4)11(2)8(13)10-7(5)12/h3H2,1-2H3,(H,10,12,13)
InChIKeyXYSZLBLPKWDCKY-UHFFFAOYSA-N
XLogP-0.28
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione 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 1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 164955084) is 1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione is CC1=Nc2c(c(=O)[nH]c(=O)n2C)C1.
What is the InChIKey of 1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XYSZLBLPKWDCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4-3-5-6(9-4)11(2)8(13)10-7(5)12/h3H2,1-2H3,(H,10,12,13).
What are the key properties of 1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 179.18 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 164955084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).