4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one

C7H7N3O2 — CID 130251303

IUPAC4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCc1ncnc2c1OCC(=O)N2
InChIInChI=1S/C7H7N3O2/c1-4-6-7(9-3-8-4)10-5(11)2-12-6/h3H,2H2,1H3,(H,8,9,10,11)
InChIKeyFJESZOMAUHHPPS-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.12
Rot. Bonds

About 4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one

4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one (PubChem CID 130251303) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one.

Molecular Properties

Compound Name4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
PubChem CID130251303
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCc1ncnc2c1OCC(=O)N2
InChIInChI=1S/C7H7N3O2/c1-4-6-7(9-3-8-4)10-5(11)2-12-6/h3H,2H2,1H3,(H,8,9,10,11)
InChIKeyFJESZOMAUHHPPS-UHFFFAOYSA-N
XLogP0.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The IUPAC name of 4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one (CID 130251303) is 4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one.
What is the SMILES notation for 4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The canonical SMILES for 4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one is Cc1ncnc2c1OCC(=O)N2.
What is the InChIKey of 4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The InChIKey is FJESZOMAUHHPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-4-6-7(9-3-8-4)10-5(11)2-12-6/h3H,2H2,1H3,(H,8,9,10,11).
What are the key properties of 4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one has a molecular weight of 165.15 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one is sourced from PubChem (CID 130251303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).