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

C12H16F3N3O2 — CID 71796940

IUPAC2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
SMILESCCOCC(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O2/c1-3-20-7-11(19)16-5-4-10-17-8(2)6-9(18-10)12(13,14)15/h6H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyFBXOJLPAGUJUNK-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.50
Rot. Bonds6

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

2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (PubChem CID 71796940) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
PubChem CID71796940
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
SMILESCCOCC(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O2/c1-3-20-7-11(19)16-5-4-10-17-8(2)6-9(18-10)12(13,14)15/h6H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyFBXOJLPAGUJUNK-UHFFFAOYSA-N
XLogP1.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-2-ethoxyacetamide
CID 1825627
2,2-dimethyl-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propanamide
CID 71796939
N-(2-(4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)-2-ethoxyacetamide
CID 71797031
4-(4,6-dimethylpyrimidin-2-yl)-N,2-dimethylmorpholine-2-carboxamide
CID 110254119
N-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl}-2-methoxyacetamide
CID 76147923
N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-2-(3-morpholinyl)acetamide
CID 56888816
N-(2-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)cyclopropanecarboxamide
CID 71796936
Ethyl (2-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)carbamate
CID 71796937
N-(2-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)cyclobutanecarboxamide
CID 71796938
2-ethoxy-N-(1-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)acetamide
CID 91631476
3-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 110246160
N-[2-(4,6-Dimethylpyrimidin-2-YL)ethyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 121504117

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (CID 71796940) is 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide is CCOCC(=O)NCCc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The InChIKey is FBXOJLPAGUJUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-3-20-7-11(19)16-5-4-10-17-8(2)6-9(18-10)12(13,14)15/h6H,3-5,7H2,1-2H3,(H,16,19).
What are the key properties of 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide has a molecular weight of 291.27 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 71796940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).