N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide

C13H13FN4O3 — CID 50941665

IUPACN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide
SMILESNc1nc(O)c(NC(=O)CCc2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C13H13FN4O3/c14-8-4-1-7(2-5-8)3-6-9(19)16-10-11(20)17-13(15)18-12(10)21/h1-2,4-5H,3,6H2,(H,16,19)(H4,15,17,18,20,21)
InChIKeyXOUGSZPIIGXJCW-UHFFFAOYSA-N
MW292.27 g/mol
LogP0.77
Rot. Bonds4

About N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide

N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide (PubChem CID 50941665) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide
PubChem CID50941665
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC NameN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide
SMILESNc1nc(O)c(NC(=O)CCc2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C13H13FN4O3/c14-8-4-1-7(2-5-8)3-6-9(19)16-10-11(20)17-13(15)18-12(10)21/h1-2,4-5H,3,6H2,(H,16,19)(H4,15,17,18,20,21)
InChIKeyXOUGSZPIIGXJCW-UHFFFAOYSA-N
XLogP0.77
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.77
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)-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide (CID 50941665) is N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide is Nc1nc(O)c(NC(=O)CCc2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide?
The InChIKey is XOUGSZPIIGXJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c14-8-4-1-7(2-5-8)3-6-9(19)16-10-11(20)17-13(15)18-12(10)21/h1-2,4-5H,3,6H2,(H,16,19)(H4,15,17,18,20,21).
What are the key properties of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide?
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide has a molecular weight of 292.27 g/mol, XLogP of 0.77, 4 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)-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 50941665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).