5,8-dihydropteridine-6,7-dione

C6H4N4O2 — CID 10820906

IUPAC5,8-dihydropteridine-6,7-dione
SMILESO=c1[nH]c2cncnc2[nH]c1=O
InChIInChI=1S/C6H4N4O2/c11-5-6(12)10-4-3(9-5)1-7-2-8-4/h1-2H,(H,9,11)(H,7,8,10,12)
InChIKeyHNSVDKLARSSFGE-UHFFFAOYSA-N
MW164.12 g/mol
LogP-0.99
Rot. Bonds

About 5,8-dihydropteridine-6,7-dione

5,8-dihydropteridine-6,7-dione (PubChem CID 10820906) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 5,8-dihydropteridine-6,7-dione.

Molecular Properties

Compound Name5,8-dihydropteridine-6,7-dione
PubChem CID10820906
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name5,8-dihydropteridine-6,7-dione
SMILESO=c1[nH]c2cncnc2[nH]c1=O
InChIInChI=1S/C6H4N4O2/c11-5-6(12)10-4-3(9-5)1-7-2-8-4/h1-2H,(H,9,11)(H,7,8,10,12)
InChIKeyHNSVDKLARSSFGE-UHFFFAOYSA-N
XLogP-0.99
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,8-dihydropteridine-6,7-dione?
The IUPAC name of 5,8-dihydropteridine-6,7-dione (CID 10820906) is 5,8-dihydropteridine-6,7-dione.
What is the SMILES notation for 5,8-dihydropteridine-6,7-dione?
The canonical SMILES for 5,8-dihydropteridine-6,7-dione is O=c1[nH]c2cncnc2[nH]c1=O.
What is the InChIKey of 5,8-dihydropteridine-6,7-dione?
The InChIKey is HNSVDKLARSSFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c11-5-6(12)10-4-3(9-5)1-7-2-8-4/h1-2H,(H,9,11)(H,7,8,10,12).
What are the key properties of 5,8-dihydropteridine-6,7-dione?
5,8-dihydropteridine-6,7-dione has a molecular weight of 164.12 g/mol, XLogP of -0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydropteridine-6,7-dione is sourced from PubChem (CID 10820906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).