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

C14H13FN2O2 — CID 79437607

IUPAC2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCC2)nc(O)c1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c15-10-6-4-8(5-7-10)11-13(18)16-12(17-14(11)19)9-2-1-3-9/h4-7,9H,1-3H2,(H2,16,17,18,19)
InChIKeyXPVHBPHEPJYNAX-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.55
Rot. Bonds2

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

2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79437607) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79437607
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCC2)nc(O)c1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c15-10-6-4-8(5-7-10)11-13(18)16-12(17-14(11)19)9-2-1-3-9/h4-7,9H,1-3H2,(H2,16,17,18,19)
InChIKeyXPVHBPHEPJYNAX-UHFFFAOYSA-N
XLogP2.55
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79437607) is 2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(C2CCC2)nc(O)c1-c1ccc(F)cc1.
What is the InChIKey of 2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is XPVHBPHEPJYNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-10-6-4-8(5-7-10)11-13(18)16-12(17-14(11)19)9-2-1-3-9/h4-7,9H,1-3H2,(H2,16,17,18,19).
What are the key properties of 2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 260.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79437607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).