1,8-dihydropteridine-2,7-dione

C6H4N4O2 — CID 596180

IUPAC1,8-dihydropteridine-2,7-dione
SMILESO=c1cnc2cnc(=O)[nH]c2[nH]1
InChIInChI=1S/C6H4N4O2/c11-4-2-7-3-1-8-6(12)10-5(3)9-4/h1-2H,(H2,8,9,10,11,12)
InChIKeyJZKLCHHLYGNHDU-UHFFFAOYSA-N
MW164.12 g/mol
LogP-0.99
Rot. Bonds

About 1,8-dihydropteridine-2,7-dione

1,8-dihydropteridine-2,7-dione (PubChem CID 596180) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 1,8-dihydropteridine-2,7-dione.

Molecular Properties

Compound Name1,8-dihydropteridine-2,7-dione
PubChem CID596180
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name1,8-dihydropteridine-2,7-dione
SMILESO=c1cnc2cnc(=O)[nH]c2[nH]1
InChIInChI=1S/C6H4N4O2/c11-4-2-7-3-1-8-6(12)10-5(3)9-4/h1-2H,(H2,8,9,10,11,12)
InChIKeyJZKLCHHLYGNHDU-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

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Frequently Asked Questions

What is the IUPAC name of 1,8-dihydropteridine-2,7-dione?
The IUPAC name of 1,8-dihydropteridine-2,7-dione (CID 596180) is 1,8-dihydropteridine-2,7-dione.
What is the SMILES notation for 1,8-dihydropteridine-2,7-dione?
The canonical SMILES for 1,8-dihydropteridine-2,7-dione is O=c1cnc2cnc(=O)[nH]c2[nH]1.
What is the InChIKey of 1,8-dihydropteridine-2,7-dione?
The InChIKey is JZKLCHHLYGNHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c11-4-2-7-3-1-8-6(12)10-5(3)9-4/h1-2H,(H2,8,9,10,11,12).
What are the key properties of 1,8-dihydropteridine-2,7-dione?
1,8-dihydropteridine-2,7-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 1,8-dihydropteridine-2,7-dione is sourced from PubChem (CID 596180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).