pyrimido[4,5-e][1,3]oxazin-4-one

C6H3N3O2 — CID 66841268

IUPACpyrimido[4,5-e][1,3]oxazin-4-one
SMILESO=c1ncoc2cncnc12
InChIInChI=1S/C6H3N3O2/c10-6-5-4(11-3-9-6)1-7-2-8-5/h1-3H
InChIKeyWWRFTHDXAWHCTD-UHFFFAOYSA-N
MW149.11 g/mol
LogP-0.02
Rot. Bonds

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

pyrimido[4,5-e][1,3]oxazin-4-one (PubChem CID 66841268) has the molecular formula C6H3N3O2 and a molecular weight of 149.11 g/mol. Its IUPAC name is pyrimido[4,5-e][1,3]oxazin-4-one.

Molecular Properties

Compound Namepyrimido[4,5-e][1,3]oxazin-4-one
PubChem CID66841268
Molecular FormulaC6H3N3O2
Molecular Weight149.11 g/mol
Exact Mass149.02
IUPAC Namepyrimido[4,5-e][1,3]oxazin-4-one
SMILESO=c1ncoc2cncnc12
InChIInChI=1S/C6H3N3O2/c10-6-5-4(11-3-9-6)1-7-2-8-5/h1-3H
InChIKeyWWRFTHDXAWHCTD-UHFFFAOYSA-N
XLogP-0.02
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrimido[4,5-e][1,3]oxazin-4-one?
The IUPAC name of pyrimido[4,5-e][1,3]oxazin-4-one (CID 66841268) is pyrimido[4,5-e][1,3]oxazin-4-one.
What is the SMILES notation for pyrimido[4,5-e][1,3]oxazin-4-one?
The canonical SMILES for pyrimido[4,5-e][1,3]oxazin-4-one is O=c1ncoc2cncnc12.
What is the InChIKey of pyrimido[4,5-e][1,3]oxazin-4-one?
The InChIKey is WWRFTHDXAWHCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O2/c10-6-5-4(11-3-9-6)1-7-2-8-5/h1-3H.
What are the key properties of pyrimido[4,5-e][1,3]oxazin-4-one?
pyrimido[4,5-e][1,3]oxazin-4-one has a molecular weight of 149.11 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[4,5-e][1,3]oxazin-4-one is sourced from PubChem (CID 66841268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).