2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid

C9H13N3O4 — CID 91621389

IUPAC2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
SMILESCCc1[nH]c(=O)n(C(C)C(=O)O)c(=O)c1N
InChIInChI=1S/C9H13N3O4/c1-3-5-6(10)7(13)12(9(16)11-5)4(2)8(14)15/h4H,3,10H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyHFGHCYYDUADJRA-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.67
Rot. Bonds3

About 2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid

2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid (PubChem CID 91621389) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
PubChem CID91621389
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
SMILESCCc1[nH]c(=O)n(C(C)C(=O)O)c(=O)c1N
InChIInChI=1S/C9H13N3O4/c1-3-5-6(10)7(13)12(9(16)11-5)4(2)8(14)15/h4H,3,10H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyHFGHCYYDUADJRA-UHFFFAOYSA-N
XLogP-0.67
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid?
The IUPAC name of 2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid (CID 91621389) is 2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid.
What is the SMILES notation for 2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid?
The canonical SMILES for 2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid is CCc1[nH]c(=O)n(C(C)C(=O)O)c(=O)c1N.
What is the InChIKey of 2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid?
The InChIKey is HFGHCYYDUADJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-3-5-6(10)7(13)12(9(16)11-5)4(2)8(14)15/h4H,3,10H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid?
2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid is sourced from PubChem (CID 91621389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).