3,5-dihydropteridine-4,6-dione

C6H4N4O2 — CID 135755313

IUPAC3,5-dihydropteridine-4,6-dione
SMILESO=c1cnc2nc[nH]c(=O)c2[nH]1
InChIInChI=1S/C6H4N4O2/c11-3-1-7-5-4(10-3)6(12)9-2-8-5/h1-2H,(H,10,11)(H,7,8,9,12)
InChIKeyBJZIBODCUPQTSW-UHFFFAOYSA-N
MW164.12 g/mol
LogP-0.99
Rot. Bonds

About 3,5-dihydropteridine-4,6-dione

3,5-dihydropteridine-4,6-dione (PubChem CID 135755313) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 3,5-dihydropteridine-4,6-dione.

Molecular Properties

Compound Name3,5-dihydropteridine-4,6-dione
PubChem CID135755313
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name3,5-dihydropteridine-4,6-dione
SMILESO=c1cnc2nc[nH]c(=O)c2[nH]1
InChIInChI=1S/C6H4N4O2/c11-3-1-7-5-4(10-3)6(12)9-2-8-5/h1-2H,(H,10,11)(H,7,8,9,12)
InChIKeyBJZIBODCUPQTSW-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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Related Compounds

1,7-dihydropurin-6-one
CID 135546991
azane;1,7-dihydropurin-6-one
CID 158320966
6-oxo-1,7-dihydropurine-8-carbonitrile
CID 135559145
4-methyl-5H-pteridin-6-one
CID 595562
6-oxo-1,7-dihydropurine-8-sulfonamide
CID 135422177
1,7-dihydropurin-6-one;3,7-dihydropurin-2-one
CID 159116799
8-pyridin-4-yl-1,7-dihydropurin-6-one
CID 135672354
(6-oxo-1,7-dihydropurin-8-yl) thiocyanate
CID 136951542
5-bromo-1H-pyrimidine-2,4-dione;1,7-dihydropurin-6-one
CID 174940134
8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one
CID 137241497
2-amino-6-oxo-5H-pteridin-4-olate
CID 51382669
6-methoxy-3H-pteridin-4-one
CID 135742619

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydropteridine-4,6-dione?
The IUPAC name of 3,5-dihydropteridine-4,6-dione (CID 135755313) is 3,5-dihydropteridine-4,6-dione.
What is the SMILES notation for 3,5-dihydropteridine-4,6-dione?
The canonical SMILES for 3,5-dihydropteridine-4,6-dione is O=c1cnc2nc[nH]c(=O)c2[nH]1.
What is the InChIKey of 3,5-dihydropteridine-4,6-dione?
The InChIKey is BJZIBODCUPQTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c11-3-1-7-5-4(10-3)6(12)9-2-8-5/h1-2H,(H,10,11)(H,7,8,9,12).
What are the key properties of 3,5-dihydropteridine-4,6-dione?
3,5-dihydropteridine-4,6-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 3,5-dihydropteridine-4,6-dione is sourced from PubChem (CID 135755313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).