1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one

C14H13FN2O2 — CID 61226042

IUPAC1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one
SMILESO=C(CCCn1cccnc1=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c15-12-6-4-11(5-7-12)13(18)3-1-9-17-10-2-8-16-14(17)19/h2,4-8,10H,1,3,9H2
InChIKeyRDZWRGBYPULHLX-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.05
Rot. Bonds5

About 1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one

1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one (PubChem CID 61226042) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one
PubChem CID61226042
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one
SMILESO=C(CCCn1cccnc1=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c15-12-6-4-11(5-7-12)13(18)3-1-9-17-10-2-8-16-14(17)19/h2,4-8,10H,1,3,9H2
InChIKeyRDZWRGBYPULHLX-UHFFFAOYSA-N
XLogP2.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one?
The IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one (CID 61226042) is 1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one is O=C(CCCn1cccnc1=O)c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one?
The InChIKey is RDZWRGBYPULHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-12-6-4-11(5-7-12)13(18)3-1-9-17-10-2-8-16-14(17)19/h2,4-8,10H,1,3,9H2.
What are the key properties of 1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one?
1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one has a molecular weight of 260.27 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-4-oxobutyl]pyrimidin-2-one is sourced from PubChem (CID 61226042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).