N-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide

C12H9N3O4 — CID 91118697

IUPACN-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide
SMILESO=NC(=O)C1=CCN2C=COC3(C=COC=C3)C2=N1
InChIInChI=1S/C12H9N3O4/c16-10(14-17)9-1-4-15-5-8-19-12(11(15)13-9)2-6-18-7-3-12/h1-3,5-8H,4H2
InChIKeyFUKZSSQSZSJDRR-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.18
Rot. Bonds1

About N-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide

N-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide (PubChem CID 91118697) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is N-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide.

Molecular Properties

Compound NameN-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide
PubChem CID91118697
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC NameN-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide
SMILESO=NC(=O)C1=CCN2C=COC3(C=COC=C3)C2=N1
InChIInChI=1S/C12H9N3O4/c16-10(14-17)9-1-4-15-5-8-19-12(11(15)13-9)2-6-18-7-3-12/h1-3,5-8H,4H2
InChIKeyFUKZSSQSZSJDRR-UHFFFAOYSA-N
XLogP1.18
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide?
The IUPAC name of N-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide (CID 91118697) is N-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide.
What is the SMILES notation for N-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide?
The canonical SMILES for N-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide is O=NC(=O)C1=CCN2C=COC3(C=COC=C3)C2=N1.
What is the InChIKey of N-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide?
The InChIKey is FUKZSSQSZSJDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c16-10(14-17)9-1-4-15-5-8-19-12(11(15)13-9)2-6-18-7-3-12/h1-3,5-8H,4H2.
What are the key properties of N-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide?
N-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide has a molecular weight of 259.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide is sourced from PubChem (CID 91118697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).