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

C14H15FN2O3 — CID 79437684

IUPAC5-(4-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C14H15FN2O3/c1-2-7-20-8-11-16-13(18)12(14(19)17-11)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H2,16,17,18,19)
InChIKeyXEGVTLMOPHJIKR-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.21
Rot. Bonds5

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

5-(4-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one (PubChem CID 79437684) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
PubChem CID79437684
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name5-(4-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C14H15FN2O3/c1-2-7-20-8-11-16-13(18)12(14(19)17-11)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H2,16,17,18,19)
InChIKeyXEGVTLMOPHJIKR-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-(4-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one (CID 79437684) is 5-(4-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one is CCCOCc1nc(O)c(-c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 5-(4-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is XEGVTLMOPHJIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-2-7-20-8-11-16-13(18)12(14(19)17-11)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-(4-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
5-(4-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-(4-fluorophenyl)-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79437684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).