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

C12H11N3O3 — CID 69410197

IUPACspiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide
SMILESNC(=O)C1C=CN2C=COC3(C=COC=C3)C2=N1
InChIInChI=1S/C12H11N3O3/c13-10(16)9-1-4-15-5-8-18-12(11(15)14-9)2-6-17-7-3-12/h1-9H,(H2,13,16)
InChIKeyWZKBAJXGRHMDIF-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.37
Rot. Bonds1

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

spiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide (PubChem CID 69410197) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is spiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide.

Molecular Properties

Compound Namespiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide
PubChem CID69410197
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Namespiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide
SMILESNC(=O)C1C=CN2C=COC3(C=COC=C3)C2=N1
InChIInChI=1S/C12H11N3O3/c13-10(16)9-1-4-15-5-8-18-12(11(15)14-9)2-6-17-7-3-12/h1-9H,(H2,13,16)
InChIKeyWZKBAJXGRHMDIF-UHFFFAOYSA-N
XLogP0.37
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of spiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide?
The IUPAC name of spiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide (CID 69410197) is spiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide.
What is the SMILES notation for spiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide?
The canonical SMILES for spiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide is NC(=O)C1C=CN2C=COC3(C=COC=C3)C2=N1.
What is the InChIKey of spiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide?
The InChIKey is WZKBAJXGRHMDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-10(16)9-1-4-15-5-8-18-12(11(15)14-9)2-6-17-7-3-12/h1-9H,(H2,13,16).
What are the key properties of spiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide?
spiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-pyrimido[2,1-c][1,4]oxazine-9,4'-pyran]-2-carboxamide is sourced from PubChem (CID 69410197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).