4,6-diethyl-5-fluoro-1H-pyrimidin-2-one

C8H11FN2O — CID 151536836

IUPAC4,6-diethyl-5-fluoro-1H-pyrimidin-2-one
SMILESCCc1nc(=O)[nH]c(CC)c1F
InChIInChI=1S/C8H11FN2O/c1-3-5-7(9)6(4-2)11-8(12)10-5/h3-4H2,1-2H3,(H,10,11,12)
InChIKeyPXQFDXUXUFOYJA-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.03
Rot. Bonds2

About 4,6-diethyl-5-fluoro-1H-pyrimidin-2-one

4,6-diethyl-5-fluoro-1H-pyrimidin-2-one (PubChem CID 151536836) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 4,6-diethyl-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-diethyl-5-fluoro-1H-pyrimidin-2-one
PubChem CID151536836
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name4,6-diethyl-5-fluoro-1H-pyrimidin-2-one
SMILESCCc1nc(=O)[nH]c(CC)c1F
InChIInChI=1S/C8H11FN2O/c1-3-5-7(9)6(4-2)11-8(12)10-5/h3-4H2,1-2H3,(H,10,11,12)
InChIKeyPXQFDXUXUFOYJA-UHFFFAOYSA-N
XLogP1.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 4,6-diethyl-5-fluoro-1H-pyrimidin-2-one (CID 151536836) is 4,6-diethyl-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-diethyl-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-diethyl-5-fluoro-1H-pyrimidin-2-one is CCc1nc(=O)[nH]c(CC)c1F.
What is the InChIKey of 4,6-diethyl-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is PXQFDXUXUFOYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-3-5-7(9)6(4-2)11-8(12)10-5/h3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 4,6-diethyl-5-fluoro-1H-pyrimidin-2-one?
4,6-diethyl-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 170.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 151536836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).