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

C11H17N3O4 — CID 55240716

IUPACethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate
SMILESCCCn1cc(N)c(=O)n(CC(=O)OCC)c1=O
InChIInChI=1S/C11H17N3O4/c1-3-5-13-6-8(12)10(16)14(11(13)17)7-9(15)18-4-2/h6H,3-5,7,12H2,1-2H3
InChIKeyTYPBOVRFPXZJKT-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.43
Rot. Bonds5

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

ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate (PubChem CID 55240716) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate
PubChem CID55240716
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Nameethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate
SMILESCCCn1cc(N)c(=O)n(CC(=O)OCC)c1=O
InChIInChI=1S/C11H17N3O4/c1-3-5-13-6-8(12)10(16)14(11(13)17)7-9(15)18-4-2/h6H,3-5,7,12H2,1-2H3
InChIKeyTYPBOVRFPXZJKT-UHFFFAOYSA-N
XLogP-0.43
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.43
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-2,6-dioxo-3-propylpyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate (CID 55240716) is ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate is CCCn1cc(N)c(=O)n(CC(=O)OCC)c1=O.
What is the InChIKey of ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate?
The InChIKey is TYPBOVRFPXZJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-5-13-6-8(12)10(16)14(11(13)17)7-9(15)18-4-2/h6H,3-5,7,12H2,1-2H3.
What are the key properties of ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate?
ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate has a molecular weight of 255.27 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate is sourced from PubChem (CID 55240716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).