ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate

C10H13N3O5 — CID 3058457

IUPACethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(OC)nc(OC)n1
InChIInChI=1S/C10H13N3O5/c1-4-18-9(15)8(14)11-6-5-7(16-2)13-10(12-6)17-3/h5H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyWHFRPMSJQXSTNS-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.00
Rot. Bonds4

About ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate

ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate (PubChem CID 3058457) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate
PubChem CID3058457
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Nameethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(OC)nc(OC)n1
InChIInChI=1S/C10H13N3O5/c1-4-18-9(15)8(14)11-6-5-7(16-2)13-10(12-6)17-3/h5H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyWHFRPMSJQXSTNS-UHFFFAOYSA-N
XLogP-0.00
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate (CID 3058457) is ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1cc(OC)nc(OC)n1.
What is the InChIKey of ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate?
The InChIKey is WHFRPMSJQXSTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-4-18-9(15)8(14)11-6-5-7(16-2)13-10(12-6)17-3/h5H,4H2,1-3H3,(H,11,12,13,14).
What are the key properties of ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate?
ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate has a molecular weight of 255.23 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate is sourced from PubChem (CID 3058457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).