8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione

C13H16N6O2 — CID 625599

IUPAC8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione
SMILESCc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1
InChIInChI=1S/C13H16N6O2/c1-7-6-8(2)19(15-7)12-14-10-9(16(12)3)11(20)18(5)13(21)17(10)4/h6H,1-5H3
InChIKeyMYDGNXVFYRZQHD-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.23
Rot. Bonds1

About 8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione

8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione (PubChem CID 625599) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione
PubChem CID625599
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione
SMILESCc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1
InChIInChI=1S/C13H16N6O2/c1-7-6-8(2)19(15-7)12-14-10-9(16(12)3)11(20)18(5)13(21)17(10)4/h6H,1-5H3
InChIKeyMYDGNXVFYRZQHD-UHFFFAOYSA-N
XLogP-0.23
TPSA79.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-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 8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione?
The IUPAC name of 8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione (CID 625599) is 8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione.
What is the SMILES notation for 8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione?
The canonical SMILES for 8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione is Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1.
What is the InChIKey of 8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione?
The InChIKey is MYDGNXVFYRZQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-7-6-8(2)19(15-7)12-14-10-9(16(12)3)11(20)18(5)13(21)17(10)4/h6H,1-5H3.
What are the key properties of 8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione?
8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione has a molecular weight of 288.31 g/mol, XLogP of -0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione is sourced from PubChem (CID 625599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).