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

C9H13N3O4 — CID 63799209

IUPACethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)c(N)cn(C)c1=O
InChIInChI=1S/C9H13N3O4/c1-3-16-7(13)5-12-8(14)6(10)4-11(2)9(12)15/h4H,3,5,10H2,1-2H3
InChIKeyRKBFNJDGTIAEIB-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.31
Rot. Bonds3

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

ethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate (PubChem CID 63799209) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is ethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate
PubChem CID63799209
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Nameethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)c(N)cn(C)c1=O
InChIInChI=1S/C9H13N3O4/c1-3-16-7(13)5-12-8(14)6(10)4-11(2)9(12)15/h4H,3,5,10H2,1-2H3
InChIKeyRKBFNJDGTIAEIB-UHFFFAOYSA-N
XLogP-1.31
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 ≤ 5-1.31
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-methyl-2,6-dioxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate (CID 63799209) is ethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate is CCOC(=O)Cn1c(=O)c(N)cn(C)c1=O.
What is the InChIKey of ethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate?
The InChIKey is RKBFNJDGTIAEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-3-16-7(13)5-12-8(14)6(10)4-11(2)9(12)15/h4H,3,5,10H2,1-2H3.
What are the key properties of ethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate?
ethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate has a molecular weight of 227.22 g/mol, XLogP of -1.31, 3 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-methyl-2,6-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 63799209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).