5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione

C11H16F3N3O3 — CID 63799586

IUPAC5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CCCOCC(F)(F)F)c1=O
InChIInChI=1S/C11H16F3N3O3/c1-2-16-6-8(15)9(18)17(10(16)19)4-3-5-20-7-11(12,13)14/h6H,2-5,7,15H2,1H3
InChIKeyHLTGDXZWBKKUJI-UHFFFAOYSA-N
MW295.26 g/mol
LogP0.58
Rot. Bonds6

About 5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione

5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione (PubChem CID 63799586) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
PubChem CID63799586
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CCCOCC(F)(F)F)c1=O
InChIInChI=1S/C11H16F3N3O3/c1-2-16-6-8(15)9(18)17(10(16)19)4-3-5-20-7-11(12,13)14/h6H,2-5,7,15H2,1H3
InChIKeyHLTGDXZWBKKUJI-UHFFFAOYSA-N
XLogP0.58
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-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 5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione (CID 63799586) is 5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione is CCn1cc(N)c(=O)n(CCCOCC(F)(F)F)c1=O.
What is the InChIKey of 5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
The InChIKey is HLTGDXZWBKKUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c1-2-16-6-8(15)9(18)17(10(16)19)4-3-5-20-7-11(12,13)14/h6H,2-5,7,15H2,1H3.
What are the key properties of 5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione has a molecular weight of 295.26 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63799586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).