2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one

C8H9N3O2 — CID 57145879

IUPAC2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one
SMILESCCc1ncc2c(n1)OCC(=O)N2
InChIInChI=1S/C8H9N3O2/c1-2-6-9-3-5-8(11-6)13-4-7(12)10-5/h3H,2,4H2,1H3,(H,10,12)
InChIKeyHPPYNPRKVXYPQR-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.37
Rot. Bonds1

About 2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one

2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one (PubChem CID 57145879) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one.

Molecular Properties

Compound Name2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one
PubChem CID57145879
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one
SMILESCCc1ncc2c(n1)OCC(=O)N2
InChIInChI=1S/C8H9N3O2/c1-2-6-9-3-5-8(11-6)13-4-7(12)10-5/h3H,2,4H2,1H3,(H,10,12)
InChIKeyHPPYNPRKVXYPQR-UHFFFAOYSA-N
XLogP0.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-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 2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one?
The IUPAC name of 2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one (CID 57145879) is 2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one.
What is the SMILES notation for 2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one?
The canonical SMILES for 2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one is CCc1ncc2c(n1)OCC(=O)N2.
What is the InChIKey of 2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one?
The InChIKey is HPPYNPRKVXYPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-2-6-9-3-5-8(11-6)13-4-7(12)10-5/h3H,2,4H2,1H3,(H,10,12).
What are the key properties of 2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one?
2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one has a molecular weight of 179.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one is sourced from PubChem (CID 57145879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).