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

C12H16N2O5 — CID 54708345

IUPACethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C12H16N2O5/c1-4-18-10(17)7-8(15)9(16)14-5-6-19-12(2,3)11(14)13-7/h15H,4-6H2,1-3H3
InChIKeyPEDCBVRNLWSIIM-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.39
Rot. Bonds2

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

ethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate (PubChem CID 54708345) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
PubChem CID54708345
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Nameethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C12H16N2O5/c1-4-18-10(17)7-8(15)9(16)14-5-6-19-12(2,3)11(14)13-7/h15H,4-6H2,1-3H3
InChIKeyPEDCBVRNLWSIIM-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The IUPAC name of ethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate (CID 54708345) is ethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate is CCOC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C.
What is the InChIKey of ethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The InChIKey is PEDCBVRNLWSIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-4-18-10(17)7-8(15)9(16)14-5-6-19-12(2,3)11(14)13-7/h15H,4-6H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
ethyl 3-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 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate is sourced from PubChem (CID 54708345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).