6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione

C16H15F4N3O3 — CID 2418817

IUPAC6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C(F)(F)F)c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C16H15F4N3O3/c1-2-7-22-13(21)11(12(24)16(18,19)20)14(25)23(15(22)26)8-9-5-3-4-6-10(9)17/h3-6H,2,7-8,21H2,1H3
InChIKeyGAAXWRPHTZIHHQ-UHFFFAOYSA-N
MW373.31 g/mol
LogP1.93
Rot. Bonds5

About 6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione

6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione (PubChem CID 2418817) has the molecular formula C16H15F4N3O3 and a molecular weight of 373.31 g/mol. Its IUPAC name is 6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
PubChem CID2418817
Molecular FormulaC16H15F4N3O3
Molecular Weight373.31 g/mol
Exact Mass373.10
IUPAC Name6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C(F)(F)F)c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C16H15F4N3O3/c1-2-7-22-13(21)11(12(24)16(18,19)20)14(25)23(15(22)26)8-9-5-3-4-6-10(9)17/h3-6H,2,7-8,21H2,1H3
InChIKeyGAAXWRPHTZIHHQ-UHFFFAOYSA-N
XLogP1.93
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)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

8-[(4-aminophenyl)methyl]-3-butyl-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione;2,2,2-trifluoroacetic acid
CID 69115638
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-fluorobenzoate
CID 7864226
1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione
CID 79788186
1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624763
N,N-diethyl-4-[(2-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 42835825
3-[1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-3-yl]propanehydrazide
CID 141079807
1-[(2-fluorophenyl)methyl]-3-methyl-7H-purine-2,6-dione
CID 141307151
5-acetyl-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 80642970
N-ethyl-4-[(2-fluorophenyl)methyl]-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 46005652
6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
CID 169167782
6-amino-1-benzyl-3-ethyl-5-[2-[1-(2-fluorophenyl)ethylamino]acetyl]pyrimidine-2,4-dione
CID 18086102
6-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-ethyl-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 121248582

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione (CID 2418817) is 6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione is CCCn1c(N)c(C(=O)C(F)(F)F)c(=O)n(Cc2ccccc2F)c1=O.
What is the InChIKey of 6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The InChIKey is GAAXWRPHTZIHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3O3/c1-2-7-22-13(21)11(12(24)16(18,19)20)14(25)23(15(22)26)8-9-5-3-4-6-10(9)17/h3-6H,2,7-8,21H2,1H3.
What are the key properties of 6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione has a molecular weight of 373.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(2-fluorophenyl)methyl]-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2418817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).