5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one

C9H12N4O2 — CID 139502540

IUPAC5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one
SMILESCC(C)(C)n1cnc2c(=O)oc(N)nc21
InChIInChI=1S/C9H12N4O2/c1-9(2,3)13-4-11-5-6(13)12-8(10)15-7(5)14/h4H,1-3H3,(H2,10,12)
InChIKeyGMZOYDRERVFUOD-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.72
Rot. Bonds

About 5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one

5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one (PubChem CID 139502540) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one.

Molecular Properties

Compound Name5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one
PubChem CID139502540
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one
SMILESCC(C)(C)n1cnc2c(=O)oc(N)nc21
InChIInChI=1S/C9H12N4O2/c1-9(2,3)13-4-11-5-6(13)12-8(10)15-7(5)14/h4H,1-3H3,(H2,10,12)
InChIKeyGMZOYDRERVFUOD-UHFFFAOYSA-N
XLogP0.72
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one?
The IUPAC name of 5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one (CID 139502540) is 5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one.
What is the SMILES notation for 5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one?
The canonical SMILES for 5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one is CC(C)(C)n1cnc2c(=O)oc(N)nc21.
What is the InChIKey of 5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one?
The InChIKey is GMZOYDRERVFUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-9(2,3)13-4-11-5-6(13)12-8(10)15-7(5)14/h4H,1-3H3,(H2,10,12).
What are the key properties of 5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one?
5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one has a molecular weight of 208.22 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-tert-butylimidazo[4,5-d][1,3]oxazin-7-one is sourced from PubChem (CID 139502540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).