1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone

C10H12F2N2O — CID 176693974

IUPAC1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1c(C)nc(C(C)(F)F)nc1C
InChIInChI=1S/C10H12F2N2O/c1-5-8(7(3)15)6(2)14-9(13-5)10(4,11)12/h1-4H3
InChIKeyBKJDJYUQILQIJG-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.41
Rot. Bonds2

About 1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone

1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone (PubChem CID 176693974) has the molecular formula C10H12F2N2O and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone
PubChem CID176693974
Molecular FormulaC10H12F2N2O
Molecular Weight214.21 g/mol
Exact Mass214.09
IUPAC Name1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1c(C)nc(C(C)(F)F)nc1C
InChIInChI=1S/C10H12F2N2O/c1-5-8(7(3)15)6(2)14-9(13-5)10(4,11)12/h1-4H3
InChIKeyBKJDJYUQILQIJG-UHFFFAOYSA-N
XLogP2.41
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone (CID 176693974) is 1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone is CC(=O)c1c(C)nc(C(C)(F)F)nc1C.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone?
The InChIKey is BKJDJYUQILQIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-5-8(7(3)15)6(2)14-9(13-5)10(4,11)12/h1-4H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone?
1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone has a molecular weight of 214.21 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)-4,6-dimethylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 176693974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).