1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione

C9H14FN3O2 — CID 63558812

IUPAC1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione
SMILESCCNCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H14FN3O2/c1-2-11-4-3-5-13-6-7(10)8(14)12-9(13)15/h6,11H,2-5H2,1H3,(H,12,14,15)
InChIKeyVVLVGASYKVNYFO-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.32
Rot. Bonds5

About 1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione

1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 63558812) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is 1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione
PubChem CID63558812
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Name1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione
SMILESCCNCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H14FN3O2/c1-2-11-4-3-5-13-6-7(10)8(14)12-9(13)15/h6,11H,2-5H2,1H3,(H,12,14,15)
InChIKeyVVLVGASYKVNYFO-UHFFFAOYSA-N
XLogP-0.32
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione 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-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione (CID 63558812) is 1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione is CCNCCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is VVLVGASYKVNYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c1-2-11-4-3-5-13-6-7(10)8(14)12-9(13)15/h6,11H,2-5H2,1H3,(H,12,14,15).
What are the key properties of 1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione?
1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 215.23 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 63558812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).