7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid

C13H18N2O5 — CID 69085136

IUPAC7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESCCC1OC(C(C)C)c2nc(C(=O)O)cc(=O)n2C1O
InChIInChI=1S/C13H18N2O5/c1-4-8-12(17)15-9(16)5-7(13(18)19)14-11(15)10(20-8)6(2)3/h5-6,8,10,12,17H,4H2,1-3H3,(H,18,19)
InChIKeyLTVXRMWAOYGCHQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.94
Rot. Bonds3

About 7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid

7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (PubChem CID 69085136) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
PubChem CID69085136
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESCCC1OC(C(C)C)c2nc(C(=O)O)cc(=O)n2C1O
InChIInChI=1S/C13H18N2O5/c1-4-8-12(17)15-9(16)5-7(13(18)19)14-11(15)10(20-8)6(2)3/h5-6,8,10,12,17H,4H2,1-3H3,(H,18,19)
InChIKeyLTVXRMWAOYGCHQ-UHFFFAOYSA-N
XLogP0.94
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.94
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-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The IUPAC name of 7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (CID 69085136) is 7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.
What is the SMILES notation for 7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The canonical SMILES for 7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is CCC1OC(C(C)C)c2nc(C(=O)O)cc(=O)n2C1O.
What is the InChIKey of 7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The InChIKey is LTVXRMWAOYGCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-4-8-12(17)15-9(16)5-7(13(18)19)14-11(15)10(20-8)6(2)3/h5-6,8,10,12,17H,4H2,1-3H3,(H,18,19).
What are the key properties of 7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is sourced from PubChem (CID 69085136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).