7,8-dihydro-1H-pteridine-2,4-dione

C6H6N4O2 — CID 590555

IUPAC7,8-dihydro-1H-pteridine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)N=CCN2
InChIInChI=1S/C6H6N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1H,2H2,(H3,8,9,10,11,12)
InChIKeyMYJNEEHZESREMO-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.81
Rot. Bonds

About 7,8-dihydro-1H-pteridine-2,4-dione

7,8-dihydro-1H-pteridine-2,4-dione (PubChem CID 590555) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 7,8-dihydro-1H-pteridine-2,4-dione.

Molecular Properties

Compound Name7,8-dihydro-1H-pteridine-2,4-dione
PubChem CID590555
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name7,8-dihydro-1H-pteridine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)N=CCN2
InChIInChI=1S/C6H6N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1H,2H2,(H3,8,9,10,11,12)
InChIKeyMYJNEEHZESREMO-UHFFFAOYSA-N
XLogP-0.81
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7,8-dihydro-1H-pteridine-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 7,8-dihydro-1H-pteridine-2,4-dione?
The IUPAC name of 7,8-dihydro-1H-pteridine-2,4-dione (CID 590555) is 7,8-dihydro-1H-pteridine-2,4-dione.
What is the SMILES notation for 7,8-dihydro-1H-pteridine-2,4-dione?
The canonical SMILES for 7,8-dihydro-1H-pteridine-2,4-dione is O=c1[nH]c2c(c(=O)[nH]1)N=CCN2.
What is the InChIKey of 7,8-dihydro-1H-pteridine-2,4-dione?
The InChIKey is MYJNEEHZESREMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1H,2H2,(H3,8,9,10,11,12).
What are the key properties of 7,8-dihydro-1H-pteridine-2,4-dione?
7,8-dihydro-1H-pteridine-2,4-dione has a molecular weight of 166.14 g/mol, XLogP of -0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-1H-pteridine-2,4-dione is sourced from PubChem (CID 590555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).