4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione

C8H8N4O2 — CID 6324445

IUPAC4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione
SMILESO=c1[nH]c(=O)c2c(nc3n2CCC3)[nH]1
InChIInChI=1S/C8H8N4O2/c13-7-5-6(10-8(14)11-7)9-4-2-1-3-12(4)5/h1-3H2,(H2,10,11,13,14)
InChIKeyPMRWDZTYSLSUPT-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.64
Rot. Bonds

About 4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione

4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione (PubChem CID 6324445) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione.

Molecular Properties

Compound Name4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione
PubChem CID6324445
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione
SMILESO=c1[nH]c(=O)c2c(nc3n2CCC3)[nH]1
InChIInChI=1S/C8H8N4O2/c13-7-5-6(10-8(14)11-7)9-4-2-1-3-12(4)5/h1-3H2,(H2,10,11,13,14)
InChIKeyPMRWDZTYSLSUPT-UHFFFAOYSA-N
XLogP-0.64
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione?
The IUPAC name of 4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione (CID 6324445) is 4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione.
What is the SMILES notation for 4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione?
The canonical SMILES for 4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione is O=c1[nH]c(=O)c2c(nc3n2CCC3)[nH]1.
What is the InChIKey of 4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione?
The InChIKey is PMRWDZTYSLSUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-7-5-6(10-8(14)11-7)9-4-2-1-3-12(4)5/h1-3H2,(H2,10,11,13,14).
What are the key properties of 4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione?
4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione has a molecular weight of 192.18 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,8-tetrahydropurino[7,8-a]pyrrole-1,3-dione is sourced from PubChem (CID 6324445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).