5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one

C14H15FN2O3 — CID 79439319

IUPAC5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(-c2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C14H15FN2O3/c1-2-6-20-8-11-16-13(18)12(14(19)17-11)9-4-3-5-10(15)7-9/h3-5,7H,2,6,8H2,1H3,(H2,16,17,18,19)
InChIKeyRWFFMZQZKHSFOJ-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.21
Rot. Bonds5

About 5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one

5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one (PubChem CID 79439319) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
PubChem CID79439319
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(-c2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C14H15FN2O3/c1-2-6-20-8-11-16-13(18)12(14(19)17-11)9-4-3-5-10(15)7-9/h3-5,7H,2,6,8H2,1H3,(H2,16,17,18,19)
InChIKeyRWFFMZQZKHSFOJ-UHFFFAOYSA-N
XLogP2.21
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one (CID 79439319) is 5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one is CCCOCc1nc(O)c(-c2cccc(F)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is RWFFMZQZKHSFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-2-6-20-8-11-16-13(18)12(14(19)17-11)9-4-3-5-10(15)7-9/h3-5,7H,2,6,8H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 278.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79439319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).