2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C14H14F2N2O2 — CID 64561373

IUPAC2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(Cc2ccc(F)cc2F)[nH]c1=O
InChIInChI=1S/C14H14F2N2O2/c1-2-3-10-13(19)17-12(18-14(10)20)6-8-4-5-9(15)7-11(8)16/h4-5,7H,2-3,6H2,1H3,(H2,17,18,19,20)
InChIKeyOZWGSXFKLSNGAB-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.30
Rot. Bonds4

About 2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 64561373) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID64561373
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(Cc2ccc(F)cc2F)[nH]c1=O
InChIInChI=1S/C14H14F2N2O2/c1-2-3-10-13(19)17-12(18-14(10)20)6-8-4-5-9(15)7-11(8)16/h4-5,7H,2-3,6H2,1H3,(H2,17,18,19,20)
InChIKeyOZWGSXFKLSNGAB-UHFFFAOYSA-N
XLogP2.30
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 64561373) is 2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(Cc2ccc(F)cc2F)[nH]c1=O.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is OZWGSXFKLSNGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-2-3-10-13(19)17-12(18-14(10)20)6-8-4-5-9(15)7-11(8)16/h4-5,7H,2-3,6H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 280.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 64561373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).