ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate

C10H15N3O4 — CID 63800101

IUPACethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)c(N)cn(CC)c1=O
InChIInChI=1S/C10H15N3O4/c1-3-12-5-7(11)9(15)13(10(12)16)6-8(14)17-4-2/h5H,3-4,6,11H2,1-2H3
InChIKeyZAPNEPYAZIFMPQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.82
Rot. Bonds4

About ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate

ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate (PubChem CID 63800101) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
PubChem CID63800101
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Nameethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)c(N)cn(CC)c1=O
InChIInChI=1S/C10H15N3O4/c1-3-12-5-7(11)9(15)13(10(12)16)6-8(14)17-4-2/h5H,3-4,6,11H2,1-2H3
InChIKeyZAPNEPYAZIFMPQ-UHFFFAOYSA-N
XLogP-0.82
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate (CID 63800101) is ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate is CCOC(=O)Cn1c(=O)c(N)cn(CC)c1=O.
What is the InChIKey of ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate?
The InChIKey is ZAPNEPYAZIFMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-12-5-7(11)9(15)13(10(12)16)6-8(14)17-4-2/h5H,3-4,6,11H2,1-2H3.
What are the key properties of ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate?
ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate has a molecular weight of 241.25 g/mol, XLogP of -0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 63800101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).