N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide

C12H11FN4O2 — CID 55237811

IUPACN-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESNc1ccc(F)c(NC(=O)Cn2cnccc2=O)c1
InChIInChI=1S/C12H11FN4O2/c13-9-2-1-8(14)5-10(9)16-11(18)6-17-7-15-4-3-12(17)19/h1-5,7H,6,14H2,(H,16,18)
InChIKeyHIGTTXAHRFTYPA-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.60
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide

N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 55237811) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID55237811
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESNc1ccc(F)c(NC(=O)Cn2cnccc2=O)c1
InChIInChI=1S/C12H11FN4O2/c13-9-2-1-8(14)5-10(9)16-11(18)6-17-7-15-4-3-12(17)19/h1-5,7H,6,14H2,(H,16,18)
InChIKeyHIGTTXAHRFTYPA-UHFFFAOYSA-N
XLogP0.60
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63769504
N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63768463
N-(5-amino-2-fluorophenyl)-2-pyridin-4-ylacetamide
CID 16787056
N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679426
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-fluoro-4-pyridinyl)acetamide
CID 107594614
N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 80579114
N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061482
N-(5-amino-2-fluorophenyl)-2-(2,6-dioxopiperidin-1-yl)acetamide
CID 43447518
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497
N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66116080
N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 62129491

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide (CID 55237811) is N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide is Nc1ccc(F)c(NC(=O)Cn2cnccc2=O)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is HIGTTXAHRFTYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c13-9-2-1-8(14)5-10(9)16-11(18)6-17-7-15-4-3-12(17)19/h1-5,7H,6,14H2,(H,16,18).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 262.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 55237811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).