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

C12H13N3O3 — CID 69400105

IUPAC2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide
SMILESNC(=O)C1=CCN2C=COC3(CCCC3=O)C2=N1
InChIInChI=1S/C12H13N3O3/c13-10(17)8-3-5-15-6-7-18-12(11(15)14-8)4-1-2-9(12)16/h3,6-7H,1-2,4-5H2,(H2,13,17)
InChIKeyLJVJQGLCHRSWGQ-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.06
Rot. Bonds1

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

2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide (PubChem CID 69400105) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide.

Molecular Properties

Compound Name2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide
PubChem CID69400105
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide
SMILESNC(=O)C1=CCN2C=COC3(CCCC3=O)C2=N1
InChIInChI=1S/C12H13N3O3/c13-10(17)8-3-5-15-6-7-18-12(11(15)14-8)4-1-2-9(12)16/h3,6-7H,1-2,4-5H2,(H2,13,17)
InChIKeyLJVJQGLCHRSWGQ-UHFFFAOYSA-N
XLogP0.06
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide?
The IUPAC name of 2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide (CID 69400105) is 2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide.
What is the SMILES notation for 2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide?
The canonical SMILES for 2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide is NC(=O)C1=CCN2C=COC3(CCCC3=O)C2=N1.
What is the InChIKey of 2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide?
The InChIKey is LJVJQGLCHRSWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c13-10(17)8-3-5-15-6-7-18-12(11(15)14-8)4-1-2-9(12)16/h3,6-7H,1-2,4-5H2,(H2,13,17).
What are the key properties of 2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide?
2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-oxospiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide is sourced from PubChem (CID 69400105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).