5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C6H6N4O2 — CID 91328026

IUPAC5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1noc2ncn(N)c(=O)c12
InChIInChI=1S/C6H6N4O2/c1-3-4-5(12-9-3)8-2-10(7)6(4)11/h2H,7H2,1H3
InChIKeyXEZHQFVKBSLUHD-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.59
Rot. Bonds

About 5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 91328026) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID91328026
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1noc2ncn(N)c(=O)c12
InChIInChI=1S/C6H6N4O2/c1-3-4-5(12-9-3)8-2-10(7)6(4)11/h2H,7H2,1H3
InChIKeyXEZHQFVKBSLUHD-UHFFFAOYSA-N
XLogP-0.59
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 91328026) is 5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one is Cc1noc2ncn(N)c(=O)c12.
What is the InChIKey of 5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XEZHQFVKBSLUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-3-4-5(12-9-3)8-2-10(7)6(4)11/h2H,7H2,1H3.
What are the key properties of 5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 166.14 g/mol, XLogP of -0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 91328026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).