6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione

C15H14F3N3O4 — CID 16581259

IUPAC6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)COc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C15H14F3N3O4/c1-20-12(19)11(13(23)21(2)14(20)24)10(22)7-25-9-5-3-4-8(6-9)15(16,17)18/h3-6H,7,19H2,1-2H3
InChIKeyABEBKQPLEIHJMA-UHFFFAOYSA-N
MW357.29 g/mol
LogP0.95
Rot. Bonds4

About 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione (PubChem CID 16581259) has the molecular formula C15H14F3N3O4 and a molecular weight of 357.29 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione
PubChem CID16581259
Molecular FormulaC15H14F3N3O4
Molecular Weight357.29 g/mol
Exact Mass357.09
IUPAC Name6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)COc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C15H14F3N3O4/c1-20-12(19)11(13(23)21(2)14(20)24)10(22)7-25-9-5-3-4-8(6-9)15(16,17)18/h3-6H,7,19H2,1-2H3
InChIKeyABEBKQPLEIHJMA-UHFFFAOYSA-N
XLogP0.95
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-[2-(3,5-dimethylphenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 42887461
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2410558
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 2469228
1-(1-methylpyrrol-3-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 60624588
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
6-amino-5-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4814732
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-iodobenzoate
CID 2476680
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 2473333
6-amino-1,3-dimethyl-5-[2-(2,4,5-trichlorophenoxy)acetyl]pyrimidine-2,4-dione
CID 2571125
6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione
CID 26687187
6-amino-5-[2-(2,4-dichlorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2479912

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione (CID 16581259) is 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione is Cn1c(N)c(C(=O)COc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione?
The InChIKey is ABEBKQPLEIHJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4/c1-20-12(19)11(13(23)21(2)14(20)24)10(22)7-25-9-5-3-4-8(6-9)15(16,17)18/h3-6H,7,19H2,1-2H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione has a molecular weight of 357.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 16581259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).