ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate

C10H13N3O4 — CID 3058449

IUPACethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(OC)nc(C)n1
InChIInChI=1S/C10H13N3O4/c1-4-17-10(15)9(14)13-7-5-8(16-3)12-6(2)11-7/h5H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyFNBMUGORXCQDTE-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.30
Rot. Bonds3

About ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate

ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate (PubChem CID 3058449) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate
PubChem CID3058449
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Nameethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(OC)nc(C)n1
InChIInChI=1S/C10H13N3O4/c1-4-17-10(15)9(14)13-7-5-8(16-3)12-6(2)11-7/h5H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyFNBMUGORXCQDTE-UHFFFAOYSA-N
XLogP0.30
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate (CID 3058449) is ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1cc(OC)nc(C)n1.
What is the InChIKey of ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate?
The InChIKey is FNBMUGORXCQDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-4-17-10(15)9(14)13-7-5-8(16-3)12-6(2)11-7/h5H,4H2,1-3H3,(H,11,12,13,14).
What are the key properties of ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate?
ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate has a molecular weight of 239.23 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate is sourced from PubChem (CID 3058449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).