N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide

C11H14F3N3O2 — CID 122356098

IUPACN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide
SMILESCCOc1nc(C)c(NC(=O)CC(F)(F)F)c(C)n1
InChIInChI=1S/C11H14F3N3O2/c1-4-19-10-15-6(2)9(7(3)16-10)17-8(18)5-11(12,13)14/h4-5H2,1-3H3,(H,17,18)
InChIKeyCMGRFXLIJBRGPX-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.38
Rot. Bonds4

About N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide (PubChem CID 122356098) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide
PubChem CID122356098
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide
SMILESCCOc1nc(C)c(NC(=O)CC(F)(F)F)c(C)n1
InChIInChI=1S/C11H14F3N3O2/c1-4-19-10-15-6(2)9(7(3)16-10)17-8(18)5-11(12,13)14/h4-5H2,1-3H3,(H,17,18)
InChIKeyCMGRFXLIJBRGPX-UHFFFAOYSA-N
XLogP2.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide (CID 122356098) is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide is CCOc1nc(C)c(NC(=O)CC(F)(F)F)c(C)n1.
What is the InChIKey of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide?
The InChIKey is CMGRFXLIJBRGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-4-19-10-15-6(2)9(7(3)16-10)17-8(18)5-11(12,13)14/h4-5H2,1-3H3,(H,17,18).
What are the key properties of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide?
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide has a molecular weight of 277.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 122356098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).