4-ethylpyrimido[4,5-e][1,3]oxazin-2-one

C8H7N3O2 — CID 89317431

IUPAC4-ethylpyrimido[4,5-e][1,3]oxazin-2-one
SMILESCCc1nc(=O)oc2cncnc12
InChIInChI=1S/C8H7N3O2/c1-2-5-7-6(3-9-4-10-7)13-8(12)11-5/h3-4H,2H2,1H3
InChIKeyOOAGCXRHDXYUOC-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.54
Rot. Bonds1

About 4-ethylpyrimido[4,5-e][1,3]oxazin-2-one

4-ethylpyrimido[4,5-e][1,3]oxazin-2-one (PubChem CID 89317431) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-ethylpyrimido[4,5-e][1,3]oxazin-2-one.

Molecular Properties

Compound Name4-ethylpyrimido[4,5-e][1,3]oxazin-2-one
PubChem CID89317431
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4-ethylpyrimido[4,5-e][1,3]oxazin-2-one
SMILESCCc1nc(=O)oc2cncnc12
InChIInChI=1S/C8H7N3O2/c1-2-5-7-6(3-9-4-10-7)13-8(12)11-5/h3-4H,2H2,1H3
InChIKeyOOAGCXRHDXYUOC-UHFFFAOYSA-N
XLogP0.54
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpyrimido[4,5-e][1,3]oxazin-2-one?
The IUPAC name of 4-ethylpyrimido[4,5-e][1,3]oxazin-2-one (CID 89317431) is 4-ethylpyrimido[4,5-e][1,3]oxazin-2-one.
What is the SMILES notation for 4-ethylpyrimido[4,5-e][1,3]oxazin-2-one?
The canonical SMILES for 4-ethylpyrimido[4,5-e][1,3]oxazin-2-one is CCc1nc(=O)oc2cncnc12.
What is the InChIKey of 4-ethylpyrimido[4,5-e][1,3]oxazin-2-one?
The InChIKey is OOAGCXRHDXYUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-2-5-7-6(3-9-4-10-7)13-8(12)11-5/h3-4H,2H2,1H3.
What are the key properties of 4-ethylpyrimido[4,5-e][1,3]oxazin-2-one?
4-ethylpyrimido[4,5-e][1,3]oxazin-2-one has a molecular weight of 177.16 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpyrimido[4,5-e][1,3]oxazin-2-one is sourced from PubChem (CID 89317431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).