ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate

C12H16N2O5 — CID 54708349

IUPACethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC2CC
InChIInChI=1S/C12H16N2O5/c1-3-7-10-13-8(12(17)18-4-2)9(15)11(16)14(10)5-6-19-7/h7,15H,3-6H2,1-2H3
InChIKeyJTSYZGAHVBUODW-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.61
Rot. Bonds3

About ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate

ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate (PubChem CID 54708349) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
PubChem CID54708349
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Nameethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC2CC
InChIInChI=1S/C12H16N2O5/c1-3-7-10-13-8(12(17)18-4-2)9(15)11(16)14(10)5-6-19-7/h7,15H,3-6H2,1-2H3
InChIKeyJTSYZGAHVBUODW-UHFFFAOYSA-N
XLogP0.61
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-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
Methyl 3-hydroxy-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708350
Ethyl (7S,11R)-3-hydroxy-4-oxo-6,7,8,9,10,11-hexahydro-4H-7,11-epoxypyrimido[1,2-a]azocine-2-carboxylate
CID 57905085
Methyl 3-hydroxy-4-oxo-6,7,9,10-tetrahydro-4H-pyrimido[1,2-d][1,4]oxazepine-2-carboxylate
CID 57905686
3-Methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
CID 58458931
ethyl 3-hydroxy-10,10-dimethyl-4-oxo-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxylate
CID 58777385
ethyl 3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate
CID 58798972

Frequently Asked Questions

What is the IUPAC name of ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The IUPAC name of ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate (CID 54708349) is ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate.
What is the SMILES notation for ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The canonical SMILES for ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate is CCOC(=O)c1nc2n(c(=O)c1O)CCOC2CC.
What is the InChIKey of ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The InChIKey is JTSYZGAHVBUODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-3-7-10-13-8(12(17)18-4-2)9(15)11(16)14(10)5-6-19-7/h7,15H,3-6H2,1-2H3.
What are the key properties of ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate is sourced from PubChem (CID 54708349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).