2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C13H12F2N2O2 — CID 55215666

IUPAC2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(Cc2cc(F)cc(F)c2)[nH]c1=O
InChIInChI=1S/C13H12F2N2O2/c1-2-10-12(18)16-11(17-13(10)19)5-7-3-8(14)6-9(15)4-7/h3-4,6H,2,5H2,1H3,(H2,16,17,18,19)
InChIKeyBQLGFJVQXLOIKG-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.91
Rot. Bonds3

About 2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 55215666) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID55215666
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(Cc2cc(F)cc(F)c2)[nH]c1=O
InChIInChI=1S/C13H12F2N2O2/c1-2-10-12(18)16-11(17-13(10)19)5-7-3-8(14)6-9(15)4-7/h3-4,6H,2,5H2,1H3,(H2,16,17,18,19)
InChIKeyBQLGFJVQXLOIKG-UHFFFAOYSA-N
XLogP1.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 55215666) is 2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(Cc2cc(F)cc(F)c2)[nH]c1=O.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is BQLGFJVQXLOIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-2-10-12(18)16-11(17-13(10)19)5-7-3-8(14)6-9(15)4-7/h3-4,6H,2,5H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 266.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 55215666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).