ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate

C13H16N2O5 — CID 58962291

IUPACethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC21CCC1
InChIInChI=1S/C13H16N2O5/c1-2-19-11(18)8-9(16)10(17)15-6-7-20-13(4-3-5-13)12(15)14-8/h16H,2-7H2,1H3
InChIKeyCEDSGSSRZOUVQR-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.54
Rot. Bonds2

About ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate

ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate (PubChem CID 58962291) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate
PubChem CID58962291
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Nameethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC21CCC1
InChIInChI=1S/C13H16N2O5/c1-2-19-11(18)8-9(16)10(17)15-6-7-20-13(4-3-5-13)12(15)14-8/h16H,2-7H2,1H3
InChIKeyCEDSGSSRZOUVQR-UHFFFAOYSA-N
XLogP0.54
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate with MolForge

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Related Compounds

3-Hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
CID 54708342
Ethyl 3-hydroxy-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708344
Ethyl 3-hydroxy-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708345
ethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708346
Ethyl 3-hydroxy-9-methyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708347
Ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708348
ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708349
Methyl 3-hydroxy-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708350
3-Methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
CID 58458931
ethyl 3-hydroxy-4-oxospiro[7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-10,4'-oxane]-2-carboxylate
CID 58641478
ethyl 3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate
CID 58798972
ethyl 3-hydroxy-4-oxospiro[7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-10,1'-cyclobutane]-2-carboxylate
CID 58877870

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate?
The IUPAC name of ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate (CID 58962291) is ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate is CCOC(=O)c1nc2n(c(=O)c1O)CCOC21CCC1.
What is the InChIKey of ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate?
The InChIKey is CEDSGSSRZOUVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-2-19-11(18)8-9(16)10(17)15-6-7-20-13(4-3-5-13)12(15)14-8/h16H,2-7H2,1H3.
What are the key properties of ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate?
ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylate is sourced from PubChem (CID 58962291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).