ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate

C12H16N2O5 — CID 69478474

IUPACethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)n2c(n1)C(C)(C)OC[C@@H]2O
InChIInChI=1S/C12H16N2O5/c1-4-18-10(17)7-5-8(15)14-9(16)6-19-12(2,3)11(14)13-7/h5,9,16H,4,6H2,1-3H3/t9-/m0/s1
InChIKeyGSIMTIWHAYXJGY-VIFPVBQESA-N
MW268.27 g/mol
LogP0.18
Rot. Bonds2

About ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate

ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate (PubChem CID 69478474) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate.

Molecular Properties

Compound Nameethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
PubChem CID69478474
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Nameethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)n2c(n1)C(C)(C)OC[C@@H]2O
InChIInChI=1S/C12H16N2O5/c1-4-18-10(17)7-5-8(15)14-9(16)6-19-12(2,3)11(14)13-7/h5,9,16H,4,6H2,1-3H3/t9-/m0/s1
InChIKeyGSIMTIWHAYXJGY-VIFPVBQESA-N
XLogP0.18
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The IUPAC name of ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate (CID 69478474) is ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate.
What is the SMILES notation for ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The canonical SMILES for ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate is CCOC(=O)c1cc(=O)n2c(n1)C(C)(C)OC[C@@H]2O.
What is the InChIKey of ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The InChIKey is GSIMTIWHAYXJGY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O5/c1-4-18-10(17)7-5-8(15)14-9(16)6-19-12(2,3)11(14)13-7/h5,9,16H,4,6H2,1-3H3/t9-/m0/s1.
What are the key properties of ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate is sourced from PubChem (CID 69478474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).