N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide

C12H11FN4O3 — CID 50941664

IUPACN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
SMILESNc1nc(O)c(NC(=O)Cc2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C12H11FN4O3/c13-7-3-1-6(2-4-7)5-8(18)15-9-10(19)16-12(14)17-11(9)20/h1-4H,5H2,(H,15,18)(H4,14,16,17,19,20)
InChIKeySOJGXALKMGXYQZ-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.38
Rot. Bonds3

About N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide

N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 50941664) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
PubChem CID50941664
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC NameN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
SMILESNc1nc(O)c(NC(=O)Cc2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C12H11FN4O3/c13-7-3-1-6(2-4-7)5-8(18)15-9-10(19)16-12(14)17-11(9)20/h1-4H,5H2,(H,15,18)(H4,14,16,17,19,20)
InChIKeySOJGXALKMGXYQZ-UHFFFAOYSA-N
XLogP0.38
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide (CID 50941664) is N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide is Nc1nc(O)c(NC(=O)Cc2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is SOJGXALKMGXYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3/c13-7-3-1-6(2-4-7)5-8(18)15-9-10(19)16-12(14)17-11(9)20/h1-4H,5H2,(H,15,18)(H4,14,16,17,19,20).
What are the key properties of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide?
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 278.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 50941664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).