1,3,4,7-tetrahydropurin-2-one

C5H6N4O — CID 56635709

IUPAC1,3,4,7-tetrahydropurin-2-one
SMILESO=C1NC=C2NC=NC2N1
InChIInChI=1S/C5H6N4O/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2,4H,(H,7,8)(H2,6,9,10)
InChIKeyMSVMGNNDIQMZQZ-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.90
Rot. Bonds

About 1,3,4,7-tetrahydropurin-2-one

1,3,4,7-tetrahydropurin-2-one (PubChem CID 56635709) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 1,3,4,7-tetrahydropurin-2-one.

Molecular Properties

Compound Name1,3,4,7-tetrahydropurin-2-one
PubChem CID56635709
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name1,3,4,7-tetrahydropurin-2-one
SMILESO=C1NC=C2NC=NC2N1
InChIInChI=1S/C5H6N4O/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2,4H,(H,7,8)(H2,6,9,10)
InChIKeyMSVMGNNDIQMZQZ-UHFFFAOYSA-N
XLogP-0.90
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,3,4,7-tetrahydropurin-2-one 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 1,3,4,7-tetrahydropurin-2-one?
The IUPAC name of 1,3,4,7-tetrahydropurin-2-one (CID 56635709) is 1,3,4,7-tetrahydropurin-2-one.
What is the SMILES notation for 1,3,4,7-tetrahydropurin-2-one?
The canonical SMILES for 1,3,4,7-tetrahydropurin-2-one is O=C1NC=C2NC=NC2N1.
What is the InChIKey of 1,3,4,7-tetrahydropurin-2-one?
The InChIKey is MSVMGNNDIQMZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2,4H,(H,7,8)(H2,6,9,10).
What are the key properties of 1,3,4,7-tetrahydropurin-2-one?
1,3,4,7-tetrahydropurin-2-one has a molecular weight of 138.13 g/mol, XLogP of -0.90, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,7-tetrahydropurin-2-one is sourced from PubChem (CID 56635709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).