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

C10H16FN3O3 — CID 55220463

IUPAC1-[2-(2-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione
SMILESCCOCCNCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H16FN3O3/c1-2-17-6-4-12-3-5-14-7-8(11)9(15)13-10(14)16/h7,12H,2-6H2,1H3,(H,13,15,16)
InChIKeyVAHLSOMVDGTAAN-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.70
Rot. Bonds7

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

1-[2-(2-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 55220463) has the molecular formula C10H16FN3O3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione
PubChem CID55220463
Molecular FormulaC10H16FN3O3
Molecular Weight245.25 g/mol
Exact Mass245.12
IUPAC Name1-[2-(2-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione
SMILESCCOCCNCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H16FN3O3/c1-2-17-6-4-12-3-5-14-7-8(11)9(15)13-10(14)16/h7,12H,2-6H2,1H3,(H,13,15,16)
InChIKeyVAHLSOMVDGTAAN-UHFFFAOYSA-N
XLogP-0.70
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.70
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-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione (CID 55220463) is 1-[2-(2-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione is CCOCCNCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(2-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is VAHLSOMVDGTAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O3/c1-2-17-6-4-12-3-5-14-7-8(11)9(15)13-10(14)16/h7,12H,2-6H2,1H3,(H,13,15,16).
What are the key properties of 1-[2-(2-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione?
1-[2-(2-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 245.25 g/mol, XLogP of -0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethylamino)ethyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 55220463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).