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

C10H14N2O4 — CID 15657911

IUPACethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CCOC)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-3-16-10(14)7-6-11-8(4-5-15-2)12-9(7)13/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyCYLCTOSHCHUDLT-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.14
Rot. Bonds5

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

ethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 15657911) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID15657911
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CCOC)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-3-16-10(14)7-6-11-8(4-5-15-2)12-9(7)13/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyCYLCTOSHCHUDLT-UHFFFAOYSA-N
XLogP0.14
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 15657911) is ethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(CCOC)[nH]c1=O.
What is the InChIKey of ethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is CYLCTOSHCHUDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-16-10(14)7-6-11-8(4-5-15-2)12-9(7)13/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of ethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 15657911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).