ethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate

C10H15N3O5 — CID 56987783

IUPACethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate
SMILESCCOC(=O)C(COC)n1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O5/c1-3-18-9(15)7(5-17-2)13-4-6(11)8(14)12-10(13)16/h4,7H,3,5,11H2,1-2H3,(H,12,14,16)
InChIKeyOXVDAJBISDJIFT-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.13
Rot. Bonds5

About ethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate

ethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate (PubChem CID 56987783) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is ethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate.

Molecular Properties

Compound Nameethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate
PubChem CID56987783
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Nameethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate
SMILESCCOC(=O)C(COC)n1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O5/c1-3-18-9(15)7(5-17-2)13-4-6(11)8(14)12-10(13)16/h4,7H,3,5,11H2,1-2H3,(H,12,14,16)
InChIKeyOXVDAJBISDJIFT-UHFFFAOYSA-N
XLogP-1.13
TPSA116.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate?
The IUPAC name of ethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate (CID 56987783) is ethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate.
What is the SMILES notation for ethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate?
The canonical SMILES for ethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate is CCOC(=O)C(COC)n1cc(N)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate?
The InChIKey is OXVDAJBISDJIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-3-18-9(15)7(5-17-2)13-4-6(11)8(14)12-10(13)16/h4,7H,3,5,11H2,1-2H3,(H,12,14,16).
What are the key properties of ethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate?
ethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate has a molecular weight of 257.25 g/mol, XLogP of -1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)-3-methoxypropanoate is sourced from PubChem (CID 56987783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).