1,5,7,8-tetrahydropteridine-2,6-dione

C6H6N4O2 — CID 597194

IUPAC1,5,7,8-tetrahydropteridine-2,6-dione
SMILESO=C1CNc2[nH]c(=O)ncc2N1
InChIInChI=1S/C6H6N4O2/c11-4-2-7-5-3(9-4)1-8-6(12)10-5/h1H,2H2,(H,9,11)(H2,7,8,10,12)
InChIKeyGUVVNUKJQCBVGT-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.87
Rot. Bonds

About 1,5,7,8-tetrahydropteridine-2,6-dione

1,5,7,8-tetrahydropteridine-2,6-dione (PubChem CID 597194) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 1,5,7,8-tetrahydropteridine-2,6-dione.

Molecular Properties

Compound Name1,5,7,8-tetrahydropteridine-2,6-dione
PubChem CID597194
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name1,5,7,8-tetrahydropteridine-2,6-dione
SMILESO=C1CNc2[nH]c(=O)ncc2N1
InChIInChI=1S/C6H6N4O2/c11-4-2-7-5-3(9-4)1-8-6(12)10-5/h1H,2H2,(H,9,11)(H2,7,8,10,12)
InChIKeyGUVVNUKJQCBVGT-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 1,5,7,8-tetrahydropteridine-2,6-dione?
The IUPAC name of 1,5,7,8-tetrahydropteridine-2,6-dione (CID 597194) is 1,5,7,8-tetrahydropteridine-2,6-dione.
What is the SMILES notation for 1,5,7,8-tetrahydropteridine-2,6-dione?
The canonical SMILES for 1,5,7,8-tetrahydropteridine-2,6-dione is O=C1CNc2[nH]c(=O)ncc2N1.
What is the InChIKey of 1,5,7,8-tetrahydropteridine-2,6-dione?
The InChIKey is GUVVNUKJQCBVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c11-4-2-7-5-3(9-4)1-8-6(12)10-5/h1H,2H2,(H,9,11)(H2,7,8,10,12).
What are the key properties of 1,5,7,8-tetrahydropteridine-2,6-dione?
1,5,7,8-tetrahydropteridine-2,6-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 1,5,7,8-tetrahydropteridine-2,6-dione is sourced from PubChem (CID 597194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).