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

C12H11FN4O3 — CID 63799556

IUPAC2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
SMILESNc1cn(CC(=O)Nc2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C12H11FN4O3/c13-7-3-1-2-4-9(7)15-10(18)6-17-5-8(14)11(19)16-12(17)20/h1-5H,6,14H2,(H,15,18)(H,16,19,20)
InChIKeyGTYFFNXZDLQXGN-UHFFFAOYSA-N
MW278.24 g/mol
LogP-0.10
Rot. Bonds3

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

2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 63799556) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
PubChem CID63799556
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
SMILESNc1cn(CC(=O)Nc2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C12H11FN4O3/c13-7-3-1-2-4-9(7)15-10(18)6-17-5-8(14)11(19)16-12(17)20/h1-5H,6,14H2,(H,15,18)(H,16,19,20)
InChIKeyGTYFFNXZDLQXGN-UHFFFAOYSA-N
XLogP-0.10
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 27449104
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 63800080
N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63558377
2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2-fluorophenyl)acetamide
CID 104505678
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 35177235
N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63558183
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 27448932
methyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate
CID 63799383
N-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63557982
N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide
CID 66423760
N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide
CID 114760013
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide (CID 63799556) is 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide is Nc1cn(CC(=O)Nc2ccccc2F)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is GTYFFNXZDLQXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3/c13-7-3-1-2-4-9(7)15-10(18)6-17-5-8(14)11(19)16-12(17)20/h1-5H,6,14H2,(H,15,18)(H,16,19,20).
What are the key properties of 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 278.24 g/mol, XLogP of -0.10, 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-fluorophenyl)acetamide is sourced from PubChem (CID 63799556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).