2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one

C14H14F2N2O2 — CID 135996607

IUPAC2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2ccccc2OC(F)F)[nH]c1=O
InChIInChI=1S/C14H14F2N2O2/c1-3-9-8(2)17-12(18-13(9)19)10-6-4-5-7-11(10)20-14(15)16/h4-7,14H,3H2,1-2H3,(H,17,18,19)
InChIKeyUQLPGVXKACOSDE-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.91
Rot. Bonds4

About 2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one

2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135996607) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135996607
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2ccccc2OC(F)F)[nH]c1=O
InChIInChI=1S/C14H14F2N2O2/c1-3-9-8(2)17-12(18-13(9)19)10-6-4-5-7-11(10)20-14(15)16/h4-7,14H,3H2,1-2H3,(H,17,18,19)
InChIKeyUQLPGVXKACOSDE-UHFFFAOYSA-N
XLogP2.91
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one (CID 135996607) is 2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(-c2ccccc2OC(F)F)[nH]c1=O.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is UQLPGVXKACOSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-3-9-8(2)17-12(18-13(9)19)10-6-4-5-7-11(10)20-14(15)16/h4-7,14H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 280.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135996607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).