3,5,6,8-tetrahydropteridine-4,7-dione

C6H6N4O2 — CID 135755330

IUPAC3,5,6,8-tetrahydropteridine-4,7-dione
SMILESO=C1CNc2c(nc[nH]c2=O)N1
InChIInChI=1S/C6H6N4O2/c11-3-1-7-4-5(10-3)8-2-9-6(4)12/h2,7H,1H2,(H2,8,9,10,11,12)
InChIKeyARODGQQILBIJGQ-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.87
Rot. Bonds

About 3,5,6,8-tetrahydropteridine-4,7-dione

3,5,6,8-tetrahydropteridine-4,7-dione (PubChem CID 135755330) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 3,5,6,8-tetrahydropteridine-4,7-dione.

Molecular Properties

Compound Name3,5,6,8-tetrahydropteridine-4,7-dione
PubChem CID135755330
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name3,5,6,8-tetrahydropteridine-4,7-dione
SMILESO=C1CNc2c(nc[nH]c2=O)N1
InChIInChI=1S/C6H6N4O2/c11-3-1-7-4-5(10-3)8-2-9-6(4)12/h2,7H,1H2,(H2,8,9,10,11,12)
InChIKeyARODGQQILBIJGQ-UHFFFAOYSA-N
XLogP-0.87
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,8-tetrahydropteridine-4,7-dione?
The IUPAC name of 3,5,6,8-tetrahydropteridine-4,7-dione (CID 135755330) is 3,5,6,8-tetrahydropteridine-4,7-dione.
What is the SMILES notation for 3,5,6,8-tetrahydropteridine-4,7-dione?
The canonical SMILES for 3,5,6,8-tetrahydropteridine-4,7-dione is O=C1CNc2c(nc[nH]c2=O)N1.
What is the InChIKey of 3,5,6,8-tetrahydropteridine-4,7-dione?
The InChIKey is ARODGQQILBIJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c11-3-1-7-4-5(10-3)8-2-9-6(4)12/h2,7H,1H2,(H2,8,9,10,11,12).
What are the key properties of 3,5,6,8-tetrahydropteridine-4,7-dione?
3,5,6,8-tetrahydropteridine-4,7-dione has a molecular weight of 166.14 g/mol, XLogP of -0.87, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,8-tetrahydropteridine-4,7-dione is sourced from PubChem (CID 135755330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).