2,4-dimethyl-5,8-dihydropteridine-6,7-dione

C8H8N4O2 — CID 57062800

IUPAC2,4-dimethyl-5,8-dihydropteridine-6,7-dione
SMILESCc1nc(C)c2[nH]c(=O)c(=O)[nH]c2n1
InChIInChI=1S/C8H8N4O2/c1-3-5-6(10-4(2)9-3)12-8(14)7(13)11-5/h1-2H3,(H,11,13)(H,9,10,12,14)
InChIKeyIVXOZASLJGEHNW-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.38
Rot. Bonds

About 2,4-dimethyl-5,8-dihydropteridine-6,7-dione

2,4-dimethyl-5,8-dihydropteridine-6,7-dione (PubChem CID 57062800) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2,4-dimethyl-5,8-dihydropteridine-6,7-dione.

Molecular Properties

Compound Name2,4-dimethyl-5,8-dihydropteridine-6,7-dione
PubChem CID57062800
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2,4-dimethyl-5,8-dihydropteridine-6,7-dione
SMILESCc1nc(C)c2[nH]c(=O)c(=O)[nH]c2n1
InChIInChI=1S/C8H8N4O2/c1-3-5-6(10-4(2)9-3)12-8(14)7(13)11-5/h1-2H3,(H,11,13)(H,9,10,12,14)
InChIKeyIVXOZASLJGEHNW-UHFFFAOYSA-N
XLogP-0.38
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-5,8-dihydropteridine-6,7-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 2,4-dimethyl-5,8-dihydropteridine-6,7-dione?
The IUPAC name of 2,4-dimethyl-5,8-dihydropteridine-6,7-dione (CID 57062800) is 2,4-dimethyl-5,8-dihydropteridine-6,7-dione.
What is the SMILES notation for 2,4-dimethyl-5,8-dihydropteridine-6,7-dione?
The canonical SMILES for 2,4-dimethyl-5,8-dihydropteridine-6,7-dione is Cc1nc(C)c2[nH]c(=O)c(=O)[nH]c2n1.
What is the InChIKey of 2,4-dimethyl-5,8-dihydropteridine-6,7-dione?
The InChIKey is IVXOZASLJGEHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-3-5-6(10-4(2)9-3)12-8(14)7(13)11-5/h1-2H3,(H,11,13)(H,9,10,12,14).
What are the key properties of 2,4-dimethyl-5,8-dihydropteridine-6,7-dione?
2,4-dimethyl-5,8-dihydropteridine-6,7-dione has a molecular weight of 192.18 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5,8-dihydropteridine-6,7-dione is sourced from PubChem (CID 57062800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).