6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C11H13N3O3 — CID 137274295

IUPAC6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C1OCCC1N1CCc2nc[nH]c(=O)c2C1
InChIInChI=1S/C11H13N3O3/c15-10-7-5-14(9-2-4-17-11(9)16)3-1-8(7)12-6-13-10/h6,9H,1-5H2,(H,12,13,15)
InChIKeyKNRBVEJFVHGMMX-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.56
Rot. Bonds1

About 6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 137274295) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID137274295
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C1OCCC1N1CCc2nc[nH]c(=O)c2C1
InChIInChI=1S/C11H13N3O3/c15-10-7-5-14(9-2-4-17-11(9)16)3-1-8(7)12-6-13-10/h6,9H,1-5H2,(H,12,13,15)
InChIKeyKNRBVEJFVHGMMX-UHFFFAOYSA-N
XLogP-0.56
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-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 6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 137274295) is 6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C1OCCC1N1CCc2nc[nH]c(=O)c2C1.
What is the InChIKey of 6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KNRBVEJFVHGMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-10-7-5-14(9-2-4-17-11(9)16)3-1-8(7)12-6-13-10/h6,9H,1-5H2,(H,12,13,15).
What are the key properties of 6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 235.24 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 137274295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).