7H-pyrimido[4,5-b][1,4]oxazine

C6H5N3O — CID 45080409

IUPAC7H-pyrimido[4,5-b][1,4]oxazine
SMILESC1=Nc2cncnc2OC1
InChIInChI=1S/C6H5N3O/c1-2-10-6-5(8-1)3-7-4-9-6/h1,3-4H,2H2
InChIKeyDDMHQMXOMBWJQJ-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.57
Rot. Bonds

About 7H-pyrimido[4,5-b][1,4]oxazine

7H-pyrimido[4,5-b][1,4]oxazine (PubChem CID 45080409) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 7H-pyrimido[4,5-b][1,4]oxazine.

Molecular Properties

Compound Name7H-pyrimido[4,5-b][1,4]oxazine
PubChem CID45080409
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name7H-pyrimido[4,5-b][1,4]oxazine
SMILESC1=Nc2cncnc2OC1
InChIInChI=1S/C6H5N3O/c1-2-10-6-5(8-1)3-7-4-9-6/h1,3-4H,2H2
InChIKeyDDMHQMXOMBWJQJ-UHFFFAOYSA-N
XLogP0.57
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrimido[4,5-b][1,4]oxazine?
The IUPAC name of 7H-pyrimido[4,5-b][1,4]oxazine (CID 45080409) is 7H-pyrimido[4,5-b][1,4]oxazine.
What is the SMILES notation for 7H-pyrimido[4,5-b][1,4]oxazine?
The canonical SMILES for 7H-pyrimido[4,5-b][1,4]oxazine is C1=Nc2cncnc2OC1.
What is the InChIKey of 7H-pyrimido[4,5-b][1,4]oxazine?
The InChIKey is DDMHQMXOMBWJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-2-10-6-5(8-1)3-7-4-9-6/h1,3-4H,2H2.
What are the key properties of 7H-pyrimido[4,5-b][1,4]oxazine?
7H-pyrimido[4,5-b][1,4]oxazine has a molecular weight of 135.13 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrimido[4,5-b][1,4]oxazine is sourced from PubChem (CID 45080409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).