diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium

C15H19FN3O3+ — CID 3623951

IUPACdiethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium
SMILESCC[NH+](CC)C(c1ccc(F)cc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H18FN3O3/c1-3-19(4-2)12(9-5-7-10(16)8-6-9)11-13(20)17-15(22)18-14(11)21/h5-8,12H,3-4H2,1-2H3,(H3,17,18,20,21,22)/p+1
InChIKeyCFCYWPLIUQUZLY-UHFFFAOYSA-O
MW308.33 g/mol
LogP-0.08
Rot. Bonds5

About diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium

diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium (PubChem CID 3623951) has the molecular formula C15H19FN3O3+ and a molecular weight of 308.33 g/mol. Its IUPAC name is diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium.

Molecular Properties

Compound Namediethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium
PubChem CID3623951
Molecular FormulaC15H19FN3O3+
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Namediethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium
SMILESCC[NH+](CC)C(c1ccc(F)cc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H18FN3O3/c1-3-19(4-2)12(9-5-7-10(16)8-6-9)11-13(20)17-15(22)18-14(11)21/h5-8,12H,3-4H2,1-2H3,(H3,17,18,20,21,22)/p+1
InChIKeyCFCYWPLIUQUZLY-UHFFFAOYSA-O
XLogP-0.08
TPSA90.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium?
The IUPAC name of diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium (CID 3623951) is diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium.
What is the SMILES notation for diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium?
The canonical SMILES for diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium is CC[NH+](CC)C(c1ccc(F)cc1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium?
The InChIKey is CFCYWPLIUQUZLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18FN3O3/c1-3-19(4-2)12(9-5-7-10(16)8-6-9)11-13(20)17-15(22)18-14(11)21/h5-8,12H,3-4H2,1-2H3,(H3,17,18,20,21,22)/p+1.
What are the key properties of diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium?
diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium has a molecular weight of 308.33 g/mol, XLogP of -0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium is sourced from PubChem (CID 3623951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).