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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63800101
2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 63798879
ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate
CID 55240716
2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63801147
2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
CID 55239566
3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide
CID 63800797
5-amino-3-[(E)-3-chloroprop-2-enyl]-1-ethylpyrimidine-2,4-dione
CID 107900569
ethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63799209
5-amino-1-ethyl-3-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 64553758
5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 63799404
methyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate
CID 63799383
5-amino-3-[(4-chlorophenyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63800452

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).