N-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide

C11H14F3N3O — CID 139386208

IUPACN-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCCN(C)C(=O)Cc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c1-4-17(3)10(18)6-9-15-7(2)5-8(16-9)11(12,13)14/h5H,4,6H2,1-3H3
InChIKeyXGPDTWXGNNVZOD-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.82
Rot. Bonds3

About N-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide

N-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide (PubChem CID 139386208) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
PubChem CID139386208
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCCN(C)C(=O)Cc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c1-4-17(3)10(18)6-9-15-7(2)5-8(16-9)11(12,13)14/h5H,4,6H2,1-3H3
InChIKeyXGPDTWXGNNVZOD-UHFFFAOYSA-N
XLogP1.82
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide (CID 139386208) is N-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide is CCN(C)C(=O)Cc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The InChIKey is XGPDTWXGNNVZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-4-17(3)10(18)6-9-15-7(2)5-8(16-9)11(12,13)14/h5H,4,6H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
N-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide has a molecular weight of 261.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 139386208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).