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

C9H12F3N3O3 — CID 63799205

IUPAC5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
SMILESNc1cn(CCCOCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H12F3N3O3/c10-9(11,12)5-18-3-1-2-15-4-6(13)7(16)14-8(15)17/h4H,1-3,5,13H2,(H,14,16,17)
InChIKeyVXQRETUBZFQRHG-UHFFFAOYSA-N
MW267.21 g/mol
LogP0.09
Rot. Bonds5

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

5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione (PubChem CID 63799205) has the molecular formula C9H12F3N3O3 and a molecular weight of 267.21 g/mol. Its IUPAC name is 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
PubChem CID63799205
Molecular FormulaC9H12F3N3O3
Molecular Weight267.21 g/mol
Exact Mass267.08
IUPAC Name5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
SMILESNc1cn(CCCOCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H12F3N3O3/c10-9(11,12)5-18-3-1-2-15-4-6(13)7(16)14-8(15)17/h4H,1-3,5,13H2,(H,14,16,17)
InChIKeyVXQRETUBZFQRHG-UHFFFAOYSA-N
XLogP0.09
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-1-[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

Related Compounds

5-Amino-1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 55238048
1-[3-(2,2,2-Trifluoroethoxy)propyl]pyrimidine-2,4-dione
CID 55238434
5-Amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
CID 63799042
5-Amino-1-(2,2-difluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 63799206
5-Amino-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
CID 63799586
5-Amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4(1h,3h)-dione
CID 63799755
5-Amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 63799930
5-Amino-1-propyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
CID 63799939
5-Amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione
CID 63799940
5-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 63800084
5-Amino-1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 63800119
5-Amino-1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 63800643

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione (CID 63799205) is 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione is Nc1cn(CCCOCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
The InChIKey is VXQRETUBZFQRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O3/c10-9(11,12)5-18-3-1-2-15-4-6(13)7(16)14-8(15)17/h4H,1-3,5,13H2,(H,14,16,17).
What are the key properties of 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione has a molecular weight of 267.21 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63799205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).