ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate

C11H14N2O5 — CID 65352015

IUPACethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2COCCO2)[nH]c1=O
InChIInChI=1S/C11H14N2O5/c1-2-17-11(15)7-5-12-9(13-10(7)14)8-6-16-3-4-18-8/h5,8H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyGWKIUINCNOZPJV-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.03
Rot. Bonds3

About ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 65352015) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID65352015
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Nameethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2COCCO2)[nH]c1=O
InChIInChI=1S/C11H14N2O5/c1-2-17-11(15)7-5-12-9(13-10(7)14)8-6-16-3-4-18-8/h5,8H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyGWKIUINCNOZPJV-UHFFFAOYSA-N
XLogP0.03
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate
CID 293750
Ethyl 2-ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 12363082
ethyl 6-oxo-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-5-carboxylate
CID 103476107
ethyl 6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylate
CID 103476108
Ethyl 6-oxo-2-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 12901694
Ethyl 4-hydroxy-2-isopropylpyrimidine-5-carboxylate
CID 12901697
Ethyl 2-(2-methoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 15657911
Ethyl 4-hydroxy-2-(methoxymethyl)pyrimidine-5-carboxylate
CID 62022074
ethyl 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 89471593
ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate
CID 7453722
Ethyl 2-(carbamoylmethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 62021504
ethyl 6-oxo-2-(propoxymethyl)-1H-pyrimidine-5-carboxylate
CID 62022841

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 65352015) is ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C2COCCO2)[nH]c1=O.
What is the InChIKey of ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is GWKIUINCNOZPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-2-17-11(15)7-5-12-9(13-10(7)14)8-6-16-3-4-18-8/h5,8H,2-4,6H2,1H3,(H,12,13,14).
What are the key properties of ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 254.24 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 65352015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).