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

C6H5N3O2 — CID 126508286

IUPAC3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one
SMILESO=C1NCc2cncnc2O1
InChIInChI=1S/C6H5N3O2/c10-6-8-2-4-1-7-3-9-5(4)11-6/h1,3H,2H2,(H,8,10)
InChIKeyIQVLASVKOREODY-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.08
Rot. Bonds

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

3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one (PubChem CID 126508286) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one.

Molecular Properties

Compound Name3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one
PubChem CID126508286
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one
SMILESO=C1NCc2cncnc2O1
InChIInChI=1S/C6H5N3O2/c10-6-8-2-4-1-7-3-9-5(4)11-6/h1,3H,2H2,(H,8,10)
InChIKeyIQVLASVKOREODY-UHFFFAOYSA-N
XLogP0.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one?
The IUPAC name of 3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one (CID 126508286) is 3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one.
What is the SMILES notation for 3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one?
The canonical SMILES for 3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one is O=C1NCc2cncnc2O1.
What is the InChIKey of 3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one?
The InChIKey is IQVLASVKOREODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c10-6-8-2-4-1-7-3-9-5(4)11-6/h1,3H,2H2,(H,8,10).
What are the key properties of 3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one?
3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one has a molecular weight of 151.12 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyrimido[5,4-e][1,3]oxazin-2-one is sourced from PubChem (CID 126508286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).