6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid

C12H16N2O5 — CID 69088309

IUPAC6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESCCC1COC(C)(C)c2nc(C(=O)O)c(O)c(=O)n21
InChIInChI=1S/C12H16N2O5/c1-4-6-5-19-12(2,3)11-13-7(10(17)18)8(15)9(16)14(6)11/h6,15H,4-5H2,1-3H3,(H,17,18)
InChIKeyCKSJSCSDACZLAV-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.86
Rot. Bonds2

About 6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid

6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (PubChem CID 69088309) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
PubChem CID69088309
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESCCC1COC(C)(C)c2nc(C(=O)O)c(O)c(=O)n21
InChIInChI=1S/C12H16N2O5/c1-4-6-5-19-12(2,3)11-13-7(10(17)18)8(15)9(16)14(6)11/h6,15H,4-5H2,1-3H3,(H,17,18)
InChIKeyCKSJSCSDACZLAV-UHFFFAOYSA-N
XLogP0.86
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The IUPAC name of 6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (CID 69088309) is 6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.
What is the SMILES notation for 6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The canonical SMILES for 6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is CCC1COC(C)(C)c2nc(C(=O)O)c(O)c(=O)n21.
What is the InChIKey of 6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The InChIKey is CKSJSCSDACZLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-4-6-5-19-12(2,3)11-13-7(10(17)18)8(15)9(16)14(6)11/h6,15H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is sourced from PubChem (CID 69088309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).