9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid

C8H8N2O4 — CID 91278966

IUPAC9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESO=C(O)C1=CCN2CCOC(=O)C2=N1
InChIInChI=1S/C8H8N2O4/c11-7(12)5-1-2-10-3-4-14-8(13)6(10)9-5/h1H,2-4H2,(H,11,12)
InChIKeyRQCGXXZLTQDYNN-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.77
Rot. Bonds1

About 9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid

9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (PubChem CID 91278966) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
PubChem CID91278966
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESO=C(O)C1=CCN2CCOC(=O)C2=N1
InChIInChI=1S/C8H8N2O4/c11-7(12)5-1-2-10-3-4-14-8(13)6(10)9-5/h1H,2-4H2,(H,11,12)
InChIKeyRQCGXXZLTQDYNN-UHFFFAOYSA-N
XLogP-0.77
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The IUPAC name of 9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (CID 91278966) is 9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.
What is the SMILES notation for 9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The canonical SMILES for 9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is O=C(O)C1=CCN2CCOC(=O)C2=N1.
What is the InChIKey of 9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The InChIKey is RQCGXXZLTQDYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-7(12)5-1-2-10-3-4-14-8(13)6(10)9-5/h1H,2-4H2,(H,11,12).
What are the key properties of 9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-6,7-dihydro-4H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is sourced from PubChem (CID 91278966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).