4a,8-dihydropteridine-2,4,7-trione

C6H4N4O3 — CID 23422163

IUPAC4a,8-dihydropteridine-2,4,7-trione
SMILESO=C1C=NC2C(=O)NC(=O)N=C2N1
InChIInChI=1S/C6H4N4O3/c11-2-1-7-3-4(8-2)9-6(13)10-5(3)12/h1,3H,(H2,8,9,10,11,12,13)
InChIKeyWTBJGMLFPLYDLU-UHFFFAOYSA-N
MW180.12 g/mol
LogP-1.80
Rot. Bonds

About 4a,8-dihydropteridine-2,4,7-trione

4a,8-dihydropteridine-2,4,7-trione (PubChem CID 23422163) has the molecular formula C6H4N4O3 and a molecular weight of 180.12 g/mol. Its IUPAC name is 4a,8-dihydropteridine-2,4,7-trione.

Molecular Properties

Compound Name4a,8-dihydropteridine-2,4,7-trione
PubChem CID23422163
Molecular FormulaC6H4N4O3
Molecular Weight180.12 g/mol
Exact Mass180.03
IUPAC Name4a,8-dihydropteridine-2,4,7-trione
SMILESO=C1C=NC2C(=O)NC(=O)N=C2N1
InChIInChI=1S/C6H4N4O3/c11-2-1-7-3-4(8-2)9-6(13)10-5(3)12/h1,3H,(H2,8,9,10,11,12,13)
InChIKeyWTBJGMLFPLYDLU-UHFFFAOYSA-N
XLogP-1.80
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(dimethylamino)-6-methyl-5H-pyrimidine-2,4-dione
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CID 71304027
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CID 71304011
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4a,8a-dihydro-1H-pyrazino[2,3-b]pyrazin-2-one
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N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4a,8-dihydropteridine-2,4,7-trione?
The IUPAC name of 4a,8-dihydropteridine-2,4,7-trione (CID 23422163) is 4a,8-dihydropteridine-2,4,7-trione.
What is the SMILES notation for 4a,8-dihydropteridine-2,4,7-trione?
The canonical SMILES for 4a,8-dihydropteridine-2,4,7-trione is O=C1C=NC2C(=O)NC(=O)N=C2N1.
What is the InChIKey of 4a,8-dihydropteridine-2,4,7-trione?
The InChIKey is WTBJGMLFPLYDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O3/c11-2-1-7-3-4(8-2)9-6(13)10-5(3)12/h1,3H,(H2,8,9,10,11,12,13).
What are the key properties of 4a,8-dihydropteridine-2,4,7-trione?
4a,8-dihydropteridine-2,4,7-trione has a molecular weight of 180.12 g/mol, XLogP of -1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8-dihydropteridine-2,4,7-trione is sourced from PubChem (CID 23422163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).