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

C8H9N3O2 — CID 154024927

IUPAC4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
SMILESCCC1OC(=O)Nc2ncncc21
InChIInChI=1S/C8H9N3O2/c1-2-6-5-3-9-4-10-7(5)11-8(12)13-6/h3-4,6H,2H2,1H3,(H,9,10,11,12)
InChIKeyLSAYGLXPULIOSS-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.49
Rot. Bonds1

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

4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one (PubChem CID 154024927) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
PubChem CID154024927
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
SMILESCCC1OC(=O)Nc2ncncc21
InChIInChI=1S/C8H9N3O2/c1-2-6-5-3-9-4-10-7(5)11-8(12)13-6/h3-4,6H,2H2,1H3,(H,9,10,11,12)
InChIKeyLSAYGLXPULIOSS-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-5-bromo-4-(1,1-difluoroethyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 178041526
(4S)-5-chloro-4-(1,1-difluoroethyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 178041724
5-Chloro-4-(1,1-difluoroethyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 178041999
(4R)-5-chloro-4-(1,1-difluoroethyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 178042129
(4S,5R)-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one
CID 68076198
1-Pyrimidin-5-ylethyl carbamate
CID 69192211
spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one
CID 70986455
1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one
CID 90329217
(1-Methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate
CID 118368520
7-Chloro-1H-pyrimido[4,5-d][1,3]oxazin-2(4H)-one
CID 122637436
1,4-Dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 126508650
4,4-dimethyl-1H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 140615612

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The IUPAC name of 4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one (CID 154024927) is 4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one.
What is the SMILES notation for 4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The canonical SMILES for 4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one is CCC1OC(=O)Nc2ncncc21.
What is the InChIKey of 4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The InChIKey is LSAYGLXPULIOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-2-6-5-3-9-4-10-7(5)11-8(12)13-6/h3-4,6H,2H2,1H3,(H,9,10,11,12).
What are the key properties of 4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one has a molecular weight of 179.18 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one is sourced from PubChem (CID 154024927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).