2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one

C8H9N3O2 — CID 57250075

IUPAC2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCCc1ncc2c(n1)NC(=O)CO2
InChIInChI=1S/C8H9N3O2/c1-2-6-9-3-5-8(10-6)11-7(12)4-13-5/h3H,2,4H2,1H3,(H,9,10,11,12)
InChIKeyQKUZFPLHJNORCV-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.37
Rot. Bonds1

About 2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one

2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one (PubChem CID 57250075) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one.

Molecular Properties

Compound Name2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
PubChem CID57250075
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCCc1ncc2c(n1)NC(=O)CO2
InChIInChI=1S/C8H9N3O2/c1-2-6-9-3-5-8(10-6)11-7(12)4-13-5/h3H,2,4H2,1H3,(H,9,10,11,12)
InChIKeyQKUZFPLHJNORCV-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

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Related Compounds

2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one
CID 57145879
2-ethyl-8H-pyrimido[5,4-b][1,4]thiazin-7-one
CID 89082670
7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 126576056
2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 45378113
1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143875784
3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carbaldehyde
CID 118380684
7-(2-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90962304
6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001049
8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one
CID 166974019
7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one
CID 155176000
6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118798842
7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
CID 145497410

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The IUPAC name of 2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one (CID 57250075) is 2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one.
What is the SMILES notation for 2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The canonical SMILES for 2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one is CCc1ncc2c(n1)NC(=O)CO2.
What is the InChIKey of 2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The InChIKey is QKUZFPLHJNORCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-2-6-9-3-5-8(10-6)11-7(12)4-13-5/h3H,2,4H2,1H3,(H,9,10,11,12).
What are the key properties of 2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-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-8H-pyrimido[5,4-b][1,4]oxazin-7-one is sourced from PubChem (CID 57250075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).