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

C6H5N3O2 — CID 126510079

IUPAC1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one
SMILESO=C1OCNc2ncncc21
InChIInChI=1S/C6H5N3O2/c10-6-4-1-7-2-8-5(4)9-3-11-6/h1-2H,3H2,(H,7,8,9)
InChIKeyOBURHJGEYDAKLL-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.02
Rot. Bonds

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

1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one (PubChem CID 126510079) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one
PubChem CID126510079
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one
SMILESO=C1OCNc2ncncc21
InChIInChI=1S/C6H5N3O2/c10-6-4-1-7-2-8-5(4)9-3-11-6/h1-2H,3H2,(H,7,8,9)
InChIKeyOBURHJGEYDAKLL-UHFFFAOYSA-N
XLogP0.02
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one?
The IUPAC name of 1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one (CID 126510079) is 1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one.
What is the SMILES notation for 1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one?
The canonical SMILES for 1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one is O=C1OCNc2ncncc21.
What is the InChIKey of 1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one?
The InChIKey is OBURHJGEYDAKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c10-6-4-1-7-2-8-5(4)9-3-11-6/h1-2H,3H2,(H,7,8,9).
What are the key properties of 1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one?
1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one has a molecular weight of 151.12 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-one is sourced from PubChem (CID 126510079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).