8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one

C8H8N2O2 — CID 67376688

IUPAC8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one
SMILESO=C1CCCc2ncncc2O1
InChIInChI=1S/C8H8N2O2/c11-8-3-1-2-6-7(12-8)4-9-5-10-6/h4-5H,1-3H2
InChIKeyLYEFXTXLMLUUIU-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.72
Rot. Bonds

About 8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one

8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one (PubChem CID 67376688) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one.

Molecular Properties

Compound Name8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one
PubChem CID67376688
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one
SMILESO=C1CCCc2ncncc2O1
InChIInChI=1S/C8H8N2O2/c11-8-3-1-2-6-7(12-8)4-9-5-10-6/h4-5H,1-3H2
InChIKeyLYEFXTXLMLUUIU-UHFFFAOYSA-N
XLogP0.72
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-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 8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one?
The IUPAC name of 8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one (CID 67376688) is 8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one.
What is the SMILES notation for 8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one?
The canonical SMILES for 8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one is O=C1CCCc2ncncc2O1.
What is the InChIKey of 8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one?
The InChIKey is LYEFXTXLMLUUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8-3-1-2-6-7(12-8)4-9-5-10-6/h4-5H,1-3H2.
What are the key properties of 8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one?
8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one has a molecular weight of 164.16 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one is sourced from PubChem (CID 67376688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).