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

C6H6N4O2 — CID 171383936

IUPAC1,5,6,8-tetrahydropteridine-2,7-dione
SMILESO=C1CNc2cnc(=O)[nH]c2N1
InChIInChI=1S/C6H6N4O2/c11-4-2-7-3-1-8-6(12)10-5(3)9-4/h1,7H,2H2,(H2,8,9,10,11,12)
InChIKeyQGXPGHWOKBDRJS-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.87
Rot. Bonds

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

1,5,6,8-tetrahydropteridine-2,7-dione (PubChem CID 171383936) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 1,5,6,8-tetrahydropteridine-2,7-dione.

Molecular Properties

Compound Name1,5,6,8-tetrahydropteridine-2,7-dione
PubChem CID171383936
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name1,5,6,8-tetrahydropteridine-2,7-dione
SMILESO=C1CNc2cnc(=O)[nH]c2N1
InChIInChI=1S/C6H6N4O2/c11-4-2-7-3-1-8-6(12)10-5(3)9-4/h1,7H,2H2,(H2,8,9,10,11,12)
InChIKeyQGXPGHWOKBDRJS-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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Related Compounds

2,4,6(3H)-Pteridinetrione, 1,5-dihydro-
CID 75733
2,7(1H,8H)-Pteridinedione
CID 596180
1,5,7,8-Tetrahydro-2,6-pteridinedione
CID 597194
5,6,7,8-Tetrahydropteridin-2(1H)-one
CID 23422336
2-Amino-4-oxo-6-hydroxy-methyldihydropteridine
CID 20975263
2-Amino-6-hydroxypterin
CID 129890365
5,8-Dihydropteridine-2,6,7(1H)-trione
CID 53422950
1-methyl-3,5-dihydro-2H-pteridine-4,6-dione
CID 57165779
2,3,4,8-tetrahydro-1H-pteridin-7-one
CID 69477149
2,3,4,5-tetrahydro-1H-pteridin-6-one
CID 89801242
2,8-dihydro-1H-pteridin-7-one
CID 91101879
2,5,7,8-tetrahydro-1H-pteridin-6-one
CID 118607942

Frequently Asked Questions

What is the IUPAC name of 1,5,6,8-tetrahydropteridine-2,7-dione?
The IUPAC name of 1,5,6,8-tetrahydropteridine-2,7-dione (CID 171383936) is 1,5,6,8-tetrahydropteridine-2,7-dione.
What is the SMILES notation for 1,5,6,8-tetrahydropteridine-2,7-dione?
The canonical SMILES for 1,5,6,8-tetrahydropteridine-2,7-dione is O=C1CNc2cnc(=O)[nH]c2N1.
What is the InChIKey of 1,5,6,8-tetrahydropteridine-2,7-dione?
The InChIKey is QGXPGHWOKBDRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c11-4-2-7-3-1-8-6(12)10-5(3)9-4/h1,7H,2H2,(H2,8,9,10,11,12).
What are the key properties of 1,5,6,8-tetrahydropteridine-2,7-dione?
1,5,6,8-tetrahydropteridine-2,7-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 1,5,6,8-tetrahydropteridine-2,7-dione is sourced from PubChem (CID 171383936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).