1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one

C8H9N3O2 — CID 154506718

IUPAC1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
SMILESCCN1C(=O)OCc2cncnc21
InChIInChI=1S/C8H9N3O2/c1-2-11-7-6(3-9-5-10-7)4-13-8(11)12/h3,5H,2,4H2,1H3
InChIKeyCQJNLSGCAFSGOF-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.95
Rot. Bonds1

About 1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one

1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one (PubChem CID 154506718) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
PubChem CID154506718
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
SMILESCCN1C(=O)OCc2cncnc21
InChIInChI=1S/C8H9N3O2/c1-2-11-7-6(3-9-5-10-7)4-13-8(11)12/h3,5H,2,4H2,1H3
InChIKeyCQJNLSGCAFSGOF-UHFFFAOYSA-N
XLogP0.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-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-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
The IUPAC name of 1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one (CID 154506718) is 1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one.
What is the SMILES notation for 1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
The canonical SMILES for 1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one is CCN1C(=O)OCc2cncnc21.
What is the InChIKey of 1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
The InChIKey is CQJNLSGCAFSGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-2-11-7-6(3-9-5-10-7)4-13-8(11)12/h3,5H,2,4H2,1H3.
What are the key properties of 1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one has a molecular weight of 179.18 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one is sourced from PubChem (CID 154506718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).