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

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Related Compounds

2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 57250075
5H-pyridazino[3,4-b][1,4]oxazin-6-one
CID 118023009
7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one
CID 147566654
ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one
CID 143502276
6-amino-7-ethyl-4H-1,4-benzoxazin-3-one
CID 19908782
2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid
CID 71463966
7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
CID 145497410
2-ethyl-8H-pyrimido[5,4-b][1,4]thiazin-7-one
CID 89082670
7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 55265376
5-ethyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 130380646
8-ethyl-4H-1,4-benzoxazin-3-one
CID 68908542
6-chloro-7-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-4H-1,4-benzoxazin-3-one
CID 60537616

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).