4a,8-dihydropteridine-4,7-dione

C6H4N4O2 — CID 23422151

IUPAC4a,8-dihydropteridine-4,7-dione
SMILESO=C1C=NC2C(=O)N=CN=C2N1
InChIInChI=1S/C6H4N4O2/c11-3-1-7-4-5(10-3)8-2-9-6(4)12/h1-2,4H,(H,8,9,10,11,12)
InChIKeyXASNZPQFNAONHY-UHFFFAOYSA-N
MW164.12 g/mol
LogP-1.48
Rot. Bonds

About 4a,8-dihydropteridine-4,7-dione

4a,8-dihydropteridine-4,7-dione (PubChem CID 23422151) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 4a,8-dihydropteridine-4,7-dione.

Molecular Properties

Compound Name4a,8-dihydropteridine-4,7-dione
PubChem CID23422151
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name4a,8-dihydropteridine-4,7-dione
SMILESO=C1C=NC2C(=O)N=CN=C2N1
InChIInChI=1S/C6H4N4O2/c11-3-1-7-4-5(10-3)8-2-9-6(4)12/h1-2,4H,(H,8,9,10,11,12)
InChIKeyXASNZPQFNAONHY-UHFFFAOYSA-N
XLogP-1.48
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-Dihydroxanthopterin
CID 136648281
Pteridine-2,4(3h,4ah)-dione
CID 23422119
4-(Dimethylamino)-4a,8-dihydropteridine-2,7-dione
CID 145918484
6-Methyl-2-methylimino-4a,8-dihydropteridine-4,7-dione
CID 145918485
2-Amino-3,4a,8,8a-tetrahydropteridine-4,7-dione
CID 57336529
2-methyl-4a,8a-dihydro-3H-pteridin-4-one
CID 20720864
3,4a,7,8-tetrahydro-2H-pteridin-4-one
CID 57074695
2,8-Dihydropteridine-6,7-dione
CID 117653797
6,8-dihydro-2H-pteridin-7-one
CID 141033318
2-Amino-4a,5-dihydropteridine-4,6-dione
CID 23422048
4a,8-Dihydropteridine-2,4,7-trione
CID 23422163
6-Methyl-4a,8-dihydropteridine-4,7-dione
CID 23422181

Frequently Asked Questions

What is the IUPAC name of 4a,8-dihydropteridine-4,7-dione?
The IUPAC name of 4a,8-dihydropteridine-4,7-dione (CID 23422151) is 4a,8-dihydropteridine-4,7-dione.
What is the SMILES notation for 4a,8-dihydropteridine-4,7-dione?
The canonical SMILES for 4a,8-dihydropteridine-4,7-dione is O=C1C=NC2C(=O)N=CN=C2N1.
What is the InChIKey of 4a,8-dihydropteridine-4,7-dione?
The InChIKey is XASNZPQFNAONHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c11-3-1-7-4-5(10-3)8-2-9-6(4)12/h1-2,4H,(H,8,9,10,11,12).
What are the key properties of 4a,8-dihydropteridine-4,7-dione?
4a,8-dihydropteridine-4,7-dione has a molecular weight of 164.12 g/mol, XLogP of -1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8-dihydropteridine-4,7-dione is sourced from PubChem (CID 23422151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).