3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide

C10H12F3N3O2 — CID 146142879

IUPAC3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide
SMILESCOc1cnc(NC(=O)C(C)(C)C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N3O2/c1-9(2,10(11,12)13)7(17)16-8-14-4-6(18-3)5-15-8/h4-5H,1-3H3,(H,14,15,16,17)
InChIKeySKGYGLFCUIZZCE-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.01
Rot. Bonds3

About 3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide

3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide (PubChem CID 146142879) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide
PubChem CID146142879
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide
SMILESCOc1cnc(NC(=O)C(C)(C)C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N3O2/c1-9(2,10(11,12)13)7(17)16-8-14-4-6(18-3)5-15-8/h4-5H,1-3H3,(H,14,15,16,17)
InChIKeySKGYGLFCUIZZCE-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide (CID 146142879) is 3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide is COc1cnc(NC(=O)C(C)(C)C(F)(F)F)nc1.
What is the InChIKey of 3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide?
The InChIKey is SKGYGLFCUIZZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-9(2,10(11,12)13)7(17)16-8-14-4-6(18-3)5-15-8/h4-5H,1-3H3,(H,14,15,16,17).
What are the key properties of 3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide?
3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide has a molecular weight of 263.22 g/mol, XLogP of 2.01, 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-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 146142879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).