2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one

C19H18FN3O3 — CID 156554433

IUPAC2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOCc1nc(O)c(Cc2ccc(-c3ccc(F)nc3)cc2)c(=O)[nH]1
InChIInChI=1S/C19H18FN3O3/c1-2-26-11-17-22-18(24)15(19(25)23-17)9-12-3-5-13(6-4-12)14-7-8-16(20)21-10-14/h3-8,10H,2,9,11H2,1H3,(H2,22,23,24,25)
InChIKeyGDIUPDXZSYAAKB-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.80
Rot. Bonds6

About 2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one

2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 156554433) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID156554433
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOCc1nc(O)c(Cc2ccc(-c3ccc(F)nc3)cc2)c(=O)[nH]1
InChIInChI=1S/C19H18FN3O3/c1-2-26-11-17-22-18(24)15(19(25)23-17)9-12-3-5-13(6-4-12)14-7-8-16(20)21-10-14/h3-8,10H,2,9,11H2,1H3,(H2,22,23,24,25)
InChIKeyGDIUPDXZSYAAKB-UHFFFAOYSA-N
XLogP2.80
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 156554433) is 2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one is CCOCc1nc(O)c(Cc2ccc(-c3ccc(F)nc3)cc2)c(=O)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is GDIUPDXZSYAAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-2-26-11-17-22-18(24)15(19(25)23-17)9-12-3-5-13(6-4-12)14-7-8-16(20)21-10-14/h3-8,10H,2,9,11H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one?
2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 355.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 156554433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).