1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione

C8H12FN3O3 — CID 103482353

IUPAC1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione
SMILESNCCOCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H12FN3O3/c9-6-5-12(2-4-15-3-1-10)8(14)11-7(6)13/h5H,1-4,10H2,(H,11,13,14)
InChIKeyKRFLAIZYXLAVDK-UHFFFAOYSA-N
MW217.20 g/mol
LogP-1.35
Rot. Bonds5

About 1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione

1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 103482353) has the molecular formula C8H12FN3O3 and a molecular weight of 217.20 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione
PubChem CID103482353
Molecular FormulaC8H12FN3O3
Molecular Weight217.20 g/mol
Exact Mass217.09
IUPAC Name1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione
SMILESNCCOCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H12FN3O3/c9-6-5-12(2-4-15-3-1-10)8(14)11-7(6)13/h5H,1-4,10H2,(H,11,13,14)
InChIKeyKRFLAIZYXLAVDK-UHFFFAOYSA-N
XLogP-1.35
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-1.35
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 1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione (CID 103482353) is 1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione is NCCOCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is KRFLAIZYXLAVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O3/c9-6-5-12(2-4-15-3-1-10)8(14)11-7(6)13/h5H,1-4,10H2,(H,11,13,14).
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione?
1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 217.20 g/mol, XLogP of -1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 103482353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).