1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one

C10H16FN3O2 — CID 58166439

IUPAC1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one
SMILESCCNc1nc(=O)n(CCOCC)cc1F
InChIInChI=1S/C10H16FN3O2/c1-3-12-9-8(11)7-14(10(15)13-9)5-6-16-4-2/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyVLEAUCXDWKIVIQ-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.85
Rot. Bonds6

About 1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one

1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one (PubChem CID 58166439) has the molecular formula C10H16FN3O2 and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one
PubChem CID58166439
Molecular FormulaC10H16FN3O2
Molecular Weight229.25 g/mol
Exact Mass229.12
IUPAC Name1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one
SMILESCCNc1nc(=O)n(CCOCC)cc1F
InChIInChI=1S/C10H16FN3O2/c1-3-12-9-8(11)7-14(10(15)13-9)5-6-16-4-2/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyVLEAUCXDWKIVIQ-UHFFFAOYSA-N
XLogP0.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one 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 1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one?
The IUPAC name of 1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one (CID 58166439) is 1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one.
What is the SMILES notation for 1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one?
The canonical SMILES for 1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one is CCNc1nc(=O)n(CCOCC)cc1F.
What is the InChIKey of 1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one?
The InChIKey is VLEAUCXDWKIVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-3-12-9-8(11)7-14(10(15)13-9)5-6-16-4-2/h7H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one?
1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one has a molecular weight of 229.25 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one is sourced from PubChem (CID 58166439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).