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

C12H13N3O3 — CID 69400107

IUPAC4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
SMILESNC(=O)c1cc(=O)n2c(n1)C1(CCCC1)OC=C2
InChIInChI=1S/C12H13N3O3/c13-10(17)8-7-9(16)15-5-6-18-12(11(15)14-8)3-1-2-4-12/h5-7H,1-4H2,(H2,13,17)
InChIKeyFTNZQAUYWNATOM-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.57
Rot. Bonds1

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

4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide (PubChem CID 69400107) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide.

Molecular Properties

Compound Name4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
PubChem CID69400107
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
SMILESNC(=O)c1cc(=O)n2c(n1)C1(CCCC1)OC=C2
InChIInChI=1S/C12H13N3O3/c13-10(17)8-7-9(16)15-5-6-18-12(11(15)14-8)3-1-2-4-12/h5-7H,1-4H2,(H2,13,17)
InChIKeyFTNZQAUYWNATOM-UHFFFAOYSA-N
XLogP0.57
TPSA87.21 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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The IUPAC name of 4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide (CID 69400107) is 4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide.
What is the SMILES notation for 4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The canonical SMILES for 4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide is NC(=O)c1cc(=O)n2c(n1)C1(CCCC1)OC=C2.
What is the InChIKey of 4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The InChIKey is FTNZQAUYWNATOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c13-10(17)8-7-9(16)15-5-6-18-12(11(15)14-8)3-1-2-4-12/h5-7H,1-4H2,(H2,13,17).
What are the key properties of 4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide is sourced from PubChem (CID 69400107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).