ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate

C14H20N2O5 — CID 54708348

IUPACethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC2(CC)CC
InChIInChI=1S/C14H20N2O5/c1-4-14(5-2)13-15-9(12(19)20-6-3)10(17)11(18)16(13)7-8-21-14/h17H,4-8H2,1-3H3
InChIKeyBYGDZLKDFULPBU-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.17
Rot. Bonds4

About ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate

ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate (PubChem CID 54708348) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
PubChem CID54708348
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Nameethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC2(CC)CC
InChIInChI=1S/C14H20N2O5/c1-4-14(5-2)13-15-9(12(19)20-6-3)10(17)11(18)16(13)7-8-21-14/h17H,4-8H2,1-3H3
InChIKeyBYGDZLKDFULPBU-UHFFFAOYSA-N
XLogP1.17
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 9,9-diethyl-3-hydroxy-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 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The IUPAC name of ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate (CID 54708348) is ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate.
What is the SMILES notation for ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The canonical SMILES for ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate is CCOC(=O)c1nc2n(c(=O)c1O)CCOC2(CC)CC.
What is the InChIKey of ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The InChIKey is BYGDZLKDFULPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-14(5-2)13-15-9(12(19)20-6-3)10(17)11(18)16(13)7-8-21-14/h17H,4-8H2,1-3H3.
What are the key properties of ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate has a molecular weight of 296.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate is sourced from PubChem (CID 54708348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).