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

C12H13N3O4 — CID 157335077

IUPAC3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
SMILESNC(=O)c1nc2n(c(=O)c1O)C=COC21CCCC1
InChIInChI=1S/C12H13N3O4/c13-9(17)7-8(16)10(18)15-5-6-19-12(11(15)14-7)3-1-2-4-12/h5-6,16H,1-4H2,(H2,13,17)
InChIKeyBFTAYRQGAHUXSW-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.28
Rot. Bonds1

About 3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide

3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide (PubChem CID 157335077) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide.

Molecular Properties

Compound Name3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
PubChem CID157335077
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
SMILESNC(=O)c1nc2n(c(=O)c1O)C=COC21CCCC1
InChIInChI=1S/C12H13N3O4/c13-9(17)7-8(16)10(18)15-5-6-19-12(11(15)14-7)3-1-2-4-12/h5-6,16H,1-4H2,(H2,13,17)
InChIKeyBFTAYRQGAHUXSW-UHFFFAOYSA-N
XLogP0.28
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The IUPAC name of 3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide (CID 157335077) is 3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide.
What is the SMILES notation for 3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The canonical SMILES for 3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide is NC(=O)c1nc2n(c(=O)c1O)C=COC21CCCC1.
What is the InChIKey of 3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The InChIKey is BFTAYRQGAHUXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c13-9(17)7-8(16)10(18)15-5-6-19-12(11(15)14-7)3-1-2-4-12/h5-6,16H,1-4H2,(H2,13,17).
What are the key properties of 3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide is sourced from PubChem (CID 157335077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).