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

C15H17FN2O2 — CID 79438766

IUPAC5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one
SMILESCCC(CC)c1nc(O)c(-c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C15H17FN2O2/c1-3-9(4-2)13-17-14(19)12(15(20)18-13)10-7-5-6-8-11(10)16/h5-9H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyVTNCJYNGAJYFSP-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.19
Rot. Bonds4

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

5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one (PubChem CID 79438766) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one
PubChem CID79438766
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one
SMILESCCC(CC)c1nc(O)c(-c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C15H17FN2O2/c1-3-9(4-2)13-17-14(19)12(15(20)18-13)10-7-5-6-8-11(10)16/h5-9H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyVTNCJYNGAJYFSP-UHFFFAOYSA-N
XLogP3.19
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one (CID 79438766) is 5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one is CCC(CC)c1nc(O)c(-c2ccccc2F)c(=O)[nH]1.
What is the InChIKey of 5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one?
The InChIKey is VTNCJYNGAJYFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-3-9(4-2)13-17-14(19)12(15(20)18-13)10-7-5-6-8-11(10)16/h5-9H,3-4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one?
5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one has a molecular weight of 276.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 79438766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).