2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H15F3N4O3 — CID 63801513

IUPAC2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCn1cc(N)c(=O)n(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C11H15F3N4O3/c1-2-3-17-4-7(15)9(20)18(10(17)21)5-8(19)16-6-11(12,13)14/h4H,2-3,5-6,15H2,1H3,(H,16,19)
InChIKeyJIYRSSKUKQEYLX-UHFFFAOYSA-N
MW308.26 g/mol
LogP-0.32
Rot. Bonds5

About 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63801513) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63801513
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC Name2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCn1cc(N)c(=O)n(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C11H15F3N4O3/c1-2-3-17-4-7(15)9(20)18(10(17)21)5-8(19)16-6-11(12,13)14/h4H,2-3,5-6,15H2,1H3,(H,16,19)
InChIKeyJIYRSSKUKQEYLX-UHFFFAOYSA-N
XLogP-0.32
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 63801513) is 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCCn1cc(N)c(=O)n(CC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JIYRSSKUKQEYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c1-2-3-17-4-7(15)9(20)18(10(17)21)5-8(19)16-6-11(12,13)14/h4H,2-3,5-6,15H2,1H3,(H,16,19).
What are the key properties of 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 308.26 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63801513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).