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

C15H15FN2O3 — CID 103986007

IUPAC5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCOC2)nc(O)c1-c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3/c16-11-3-1-10(2-4-11)13-14(19)17-12(18-15(13)20)7-9-5-6-21-8-9/h1-4,9H,5-8H2,(H2,17,18,19,20)
InChIKeyPIPZLMBGHMFCJH-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.86
Rot. Bonds3

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

5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 103986007) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID103986007
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCOC2)nc(O)c1-c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3/c16-11-3-1-10(2-4-11)13-14(19)17-12(18-15(13)20)7-9-5-6-21-8-9/h1-4,9H,5-8H2,(H2,17,18,19,20)
InChIKeyPIPZLMBGHMFCJH-UHFFFAOYSA-N
XLogP1.86
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (CID 103986007) is 5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is O=c1[nH]c(CC2CCOC2)nc(O)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is PIPZLMBGHMFCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-11-3-1-10(2-4-11)13-14(19)17-12(18-15(13)20)7-9-5-6-21-8-9/h1-4,9H,5-8H2,(H2,17,18,19,20).
What are the key properties of 5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 290.29 g/mol, XLogP of 1.86, 3 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-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103986007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).