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

C12H16N2O5 — CID 69088308

IUPAC7-ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESCCC1OC(C)(C)c2nc(C(=O)O)cc(=O)n2C1O
InChIInChI=1S/C12H16N2O5/c1-4-7-9(16)14-8(15)5-6(10(17)18)13-11(14)12(2,3)19-7/h5,7,9,16H,4H2,1-3H3,(H,17,18)
InChIKeyWEIWMAMTMKWHHB-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.48
Rot. Bonds2

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

7-ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (PubChem CID 69088308) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 7-ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
PubChem CID69088308
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name7-ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESCCC1OC(C)(C)c2nc(C(=O)O)cc(=O)n2C1O
InChIInChI=1S/C12H16N2O5/c1-4-7-9(16)14-8(15)5-6(10(17)18)13-11(14)12(2,3)19-7/h5,7,9,16H,4H2,1-3H3,(H,17,18)
InChIKeyWEIWMAMTMKWHHB-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The IUPAC name of 7-ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (CID 69088308) is 7-ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.
What is the SMILES notation for 7-ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The canonical SMILES for 7-ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is CCC1OC(C)(C)c2nc(C(=O)O)cc(=O)n2C1O.
What is the InChIKey of 7-ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The InChIKey is WEIWMAMTMKWHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-4-7-9(16)14-8(15)5-6(10(17)18)13-11(14)12(2,3)19-7/h5,7,9,16H,4H2,1-3H3,(H,17,18).
What are the key properties of 7-ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
7-ethyl-6-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 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is sourced from PubChem (CID 69088308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).