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

C9H13N3O4 — CID 63800107

IUPACmethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESCCn1cc(N)c(=O)n(CC(=O)OC)c1=O
InChIInChI=1S/C9H13N3O4/c1-3-11-4-6(10)8(14)12(9(11)15)5-7(13)16-2/h4H,3,5,10H2,1-2H3
InChIKeyFNWWLRBKPODOAB-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.21
Rot. Bonds3

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

methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate (PubChem CID 63800107) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
PubChem CID63800107
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Namemethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESCCn1cc(N)c(=O)n(CC(=O)OC)c1=O
InChIInChI=1S/C9H13N3O4/c1-3-11-4-6(10)8(14)12(9(11)15)5-7(13)16-2/h4H,3,5,10H2,1-2H3
InChIKeyFNWWLRBKPODOAB-UHFFFAOYSA-N
XLogP-1.21
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate?
The IUPAC name of methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate (CID 63800107) is methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate is CCn1cc(N)c(=O)n(CC(=O)OC)c1=O.
What is the InChIKey of methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate?
The InChIKey is FNWWLRBKPODOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-3-11-4-6(10)8(14)12(9(11)15)5-7(13)16-2/h4H,3,5,10H2,1-2H3.
What are the key properties of methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate?
methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate has a molecular weight of 227.22 g/mol, XLogP of -1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 63800107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).