2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H9F3N4O3 — CID 63800250

IUPAC2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cn(CC(=O)NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9F3N4O3/c9-8(10,11)3-13-5(16)2-15-1-4(12)6(17)14-7(15)18/h1H,2-3,12H2,(H,13,16)(H,14,17,18)
InChIKeyFWGXLVNOLDNITM-UHFFFAOYSA-N
MW266.18 g/mol
LogP-1.20
Rot. Bonds3

About 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63800250) has the molecular formula C8H9F3N4O3 and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63800250
Molecular FormulaC8H9F3N4O3
Molecular Weight266.18 g/mol
Exact Mass266.06
IUPAC Name2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cn(CC(=O)NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9F3N4O3/c9-8(10,11)3-13-5(16)2-15-1-4(12)6(17)14-7(15)18/h1H,2-3,12H2,(H,13,16)(H,14,17,18)
InChIKeyFWGXLVNOLDNITM-UHFFFAOYSA-N
XLogP-1.20
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 63800250) is 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is Nc1cn(CC(=O)NCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FWGXLVNOLDNITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O3/c9-8(10,11)3-13-5(16)2-15-1-4(12)6(17)14-7(15)18/h1H,2-3,12H2,(H,13,16)(H,14,17,18).
What are the key properties of 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 266.18 g/mol, XLogP of -1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63800250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).