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

C8H8N2O4 — CID 90882254

IUPAC4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2c(n1)COCC2
InChIInChI=1S/C8H8N2O4/c11-7-3-5(8(12)13)9-6-4-14-2-1-10(6)7/h3H,1-2,4H2,(H,12,13)
InChIKeyZMZJZOJSMNHBRI-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.53
Rot. Bonds1

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

4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (PubChem CID 90882254) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
PubChem CID90882254
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2c(n1)COCC2
InChIInChI=1S/C8H8N2O4/c11-7-3-5(8(12)13)9-6-4-14-2-1-10(6)7/h3H,1-2,4H2,(H,12,13)
InChIKeyZMZJZOJSMNHBRI-UHFFFAOYSA-N
XLogP-0.53
TPSA81.42 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 ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The IUPAC name of 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (CID 90882254) is 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The canonical SMILES for 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is O=C(O)c1cc(=O)n2c(n1)COCC2.
What is the InChIKey of 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The InChIKey is ZMZJZOJSMNHBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-7-3-5(8(12)13)9-6-4-14-2-1-10(6)7/h3H,1-2,4H2,(H,12,13).
What are the key properties of 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is sourced from PubChem (CID 90882254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).