1H-purino[7,8-a]pyrimidine-2,4-dione

C8H5N5O2 — CID 70512426

IUPAC1H-purino[7,8-a]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2c(nc3ncccn32)[nH]1
InChIInChI=1S/C8H5N5O2/c14-6-4-5(11-8(15)12-6)10-7-9-2-1-3-13(4)7/h1-3H,(H2,11,12,14,15)
InChIKeyNOAAQDOMMURYCS-UHFFFAOYSA-N
MW203.16 g/mol
LogP-0.74
Rot. Bonds

About 1H-purino[7,8-a]pyrimidine-2,4-dione

1H-purino[7,8-a]pyrimidine-2,4-dione (PubChem CID 70512426) has the molecular formula C8H5N5O2 and a molecular weight of 203.16 g/mol. Its IUPAC name is 1H-purino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1H-purino[7,8-a]pyrimidine-2,4-dione
PubChem CID70512426
Molecular FormulaC8H5N5O2
Molecular Weight203.16 g/mol
Exact Mass203.04
IUPAC Name1H-purino[7,8-a]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2c(nc3ncccn32)[nH]1
InChIInChI=1S/C8H5N5O2/c14-6-4-5(11-8(15)12-6)10-7-9-2-1-3-13(4)7/h1-3H,(H2,11,12,14,15)
InChIKeyNOAAQDOMMURYCS-UHFFFAOYSA-N
XLogP-0.74
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1H-purino[7,8-a]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-purino[7,8-a]pyrimidine-2,4-dione?
The IUPAC name of 1H-purino[7,8-a]pyrimidine-2,4-dione (CID 70512426) is 1H-purino[7,8-a]pyrimidine-2,4-dione.
What is the SMILES notation for 1H-purino[7,8-a]pyrimidine-2,4-dione?
The canonical SMILES for 1H-purino[7,8-a]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2c(nc3ncccn32)[nH]1.
What is the InChIKey of 1H-purino[7,8-a]pyrimidine-2,4-dione?
The InChIKey is NOAAQDOMMURYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O2/c14-6-4-5(11-8(15)12-6)10-7-9-2-1-3-13(4)7/h1-3H,(H2,11,12,14,15).
What are the key properties of 1H-purino[7,8-a]pyrimidine-2,4-dione?
1H-purino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 203.16 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-purino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 70512426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).