3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide

C10H12F3N3O2 — CID 122302828

IUPAC3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide
SMILESCOc1nc(C)c(NC(=O)CC(F)(F)F)c(C)n1
InChIInChI=1S/C10H12F3N3O2/c1-5-8(6(2)15-9(14-5)18-3)16-7(17)4-10(11,12)13/h4H2,1-3H3,(H,16,17)
InChIKeyASXZCHCVGHARNG-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.99
Rot. Bonds3

About 3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide

3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide (PubChem CID 122302828) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide
PubChem CID122302828
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide
SMILESCOc1nc(C)c(NC(=O)CC(F)(F)F)c(C)n1
InChIInChI=1S/C10H12F3N3O2/c1-5-8(6(2)15-9(14-5)18-3)16-7(17)4-10(11,12)13/h4H2,1-3H3,(H,16,17)
InChIKeyASXZCHCVGHARNG-UHFFFAOYSA-N
XLogP1.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide (CID 122302828) is 3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide is COc1nc(C)c(NC(=O)CC(F)(F)F)c(C)n1.
What is the InChIKey of 3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide?
The InChIKey is ASXZCHCVGHARNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-5-8(6(2)15-9(14-5)18-3)16-7(17)4-10(11,12)13/h4H2,1-3H3,(H,16,17).
What are the key properties of 3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide?
3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide has a molecular weight of 263.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 122302828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).