ethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate

C9H12N2O4 — CID 62022074

IUPACethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(COC)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-3-15-9(13)6-4-10-7(5-14-2)11-8(6)12/h4H,3,5H2,1-2H3,(H,10,11,12)
InChIKeyVFIJWNDOHYZKRY-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.09
Rot. Bonds4

About ethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 62022074) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID62022074
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Nameethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(COC)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-3-15-9(13)6-4-10-7(5-14-2)11-8(6)12/h4H,3,5H2,1-2H3,(H,10,11,12)
InChIKeyVFIJWNDOHYZKRY-UHFFFAOYSA-N
XLogP0.09
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 62022074) is ethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(COC)[nH]c1=O.
What is the InChIKey of ethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is VFIJWNDOHYZKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-15-9(13)6-4-10-7(5-14-2)11-8(6)12/h4H,3,5H2,1-2H3,(H,10,11,12).
What are the key properties of ethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 62022074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).