ethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate

C11H15N3O5 — CID 3058447

IUPACethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(OCCOC)ncn1
InChIInChI=1S/C11H15N3O5/c1-3-18-11(16)10(15)14-8-6-9(13-7-12-8)19-5-4-17-2/h6-7H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyHOOZHVDIZZXWGT-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.00
Rot. Bonds6

About ethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate

ethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate (PubChem CID 3058447) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is ethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate
PubChem CID3058447
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Nameethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(OCCOC)ncn1
InChIInChI=1S/C11H15N3O5/c1-3-18-11(16)10(15)14-8-6-9(13-7-12-8)19-5-4-17-2/h6-7H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyHOOZHVDIZZXWGT-UHFFFAOYSA-N
XLogP0.00
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate (CID 3058447) is ethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1cc(OCCOC)ncn1.
What is the InChIKey of ethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate?
The InChIKey is HOOZHVDIZZXWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-18-11(16)10(15)14-8-6-9(13-7-12-8)19-5-4-17-2/h6-7H,3-5H2,1-2H3,(H,12,13,14,15).
What are the key properties of ethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate?
ethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate has a molecular weight of 269.26 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate is sourced from PubChem (CID 3058447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).