ethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate

C11H14N2O5 — CID 54708347

IUPACethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC2C
InChIInChI=1S/C11H14N2O5/c1-3-17-11(16)7-8(14)10(15)13-4-5-18-6(2)9(13)12-7/h6,14H,3-5H2,1-2H3
InChIKeyQUCQJZWXKLGPFJ-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.22
Rot. Bonds2

About ethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate

ethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate (PubChem CID 54708347) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is ethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
PubChem CID54708347
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Nameethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC2C
InChIInChI=1S/C11H14N2O5/c1-3-17-11(16)7-8(14)10(15)13-4-5-18-6(2)9(13)12-7/h6,14H,3-5H2,1-2H3
InChIKeyQUCQJZWXKLGPFJ-UHFFFAOYSA-N
XLogP0.22
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.22
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-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The IUPAC name of ethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate (CID 54708347) is ethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate is CCOC(=O)c1nc2n(c(=O)c1O)CCOC2C.
What is the InChIKey of ethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The InChIKey is QUCQJZWXKLGPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-3-17-11(16)7-8(14)10(15)13-4-5-18-6(2)9(13)12-7/h6,14H,3-5H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
ethyl 3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate has a molecular weight of 254.24 g/mol, XLogP of 0.22, 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-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate is sourced from PubChem (CID 54708347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).