5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione

C11H18FN3O3 — CID 63556609

IUPAC5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione
SMILESCOCCNCCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H18FN3O3/c1-18-7-5-13-4-2-3-6-15-8-9(12)10(16)14-11(15)17/h8,13H,2-7H2,1H3,(H,14,16,17)
InChIKeyANYLMHAYVFTBJL-UHFFFAOYSA-N
MW259.28 g/mol
LogP-0.31
Rot. Bonds8

About 5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione

5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione (PubChem CID 63556609) has the molecular formula C11H18FN3O3 and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione
PubChem CID63556609
Molecular FormulaC11H18FN3O3
Molecular Weight259.28 g/mol
Exact Mass259.13
IUPAC Name5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione
SMILESCOCCNCCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H18FN3O3/c1-18-7-5-13-4-2-3-6-15-8-9(12)10(16)14-11(15)17/h8,13H,2-7H2,1H3,(H,14,16,17)
InChIKeyANYLMHAYVFTBJL-UHFFFAOYSA-N
XLogP-0.31
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione (CID 63556609) is 5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione is COCCNCCCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione?
The InChIKey is ANYLMHAYVFTBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O3/c1-18-7-5-13-4-2-3-6-15-8-9(12)10(16)14-11(15)17/h8,13H,2-7H2,1H3,(H,14,16,17).
What are the key properties of 5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione?
5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione has a molecular weight of 259.28 g/mol, XLogP of -0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63556609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).