2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C14H15FN2O3 — CID 79439915

IUPAC2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(O)c(-c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C14H15FN2O3/c1-3-20-8(2)12-16-13(18)11(14(19)17-12)9-6-4-5-7-10(9)15/h4-8H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyKGCHVZIPZYVYQN-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.38
Rot. Bonds4

About 2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79439915) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79439915
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(O)c(-c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C14H15FN2O3/c1-3-20-8(2)12-16-13(18)11(14(19)17-12)9-6-4-5-7-10(9)15/h4-8H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyKGCHVZIPZYVYQN-UHFFFAOYSA-N
XLogP2.38
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79439915) is 2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is CCOC(C)c1nc(O)c(-c2ccccc2F)c(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is KGCHVZIPZYVYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-3-20-8(2)12-16-13(18)11(14(19)17-12)9-6-4-5-7-10(9)15/h4-8H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 278.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79439915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).