ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate

C12H19N3O4 — CID 10934499

IUPACethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-2-19-10(16)6-4-3-5-7-15-8-9(13)11(17)14-12(15)18/h8H,2-7,13H2,1H3,(H,14,17,18)
InChIKeyXDUKHDPAPCYZCP-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.24
Rot. Bonds7

About ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate

ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate (PubChem CID 10934499) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate
PubChem CID10934499
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nameethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-2-19-10(16)6-4-3-5-7-15-8-9(13)11(17)14-12(15)18/h8H,2-7,13H2,1H3,(H,14,17,18)
InChIKeyXDUKHDPAPCYZCP-UHFFFAOYSA-N
XLogP0.24
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate 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

CID 169034542
CID 169034542
CID 64294680
CID 64294680
CID 166946503
CID 166946503
CID 169034374
CID 169034374
CID 169034488
CID 169034488
CID 169034545
CID 169034545
CID 257700
CID 257700
CID 10046302
CID 10046302
CID 10904415
CID 10904415
CID 10956149
CID 10956149
CID 11130788
CID 11130788
CID 11132427
CID 11132427

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate?
The IUPAC name of ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate (CID 10934499) is ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate.
What is the SMILES notation for ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate?
The canonical SMILES for ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate is CCOC(=O)CCCCCn1cc(N)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate?
The InChIKey is XDUKHDPAPCYZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-19-10(16)6-4-3-5-7-15-8-9(13)11(17)14-12(15)18/h8H,2-7,13H2,1H3,(H,14,17,18).
What are the key properties of ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate?
ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate has a molecular weight of 269.30 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(5-amino-2,4-dioxopyrimidin-1-yl)hexanoate is sourced from PubChem (CID 10934499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).