2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide

C16H16F3N3O3 — CID 121064393

IUPAC2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2OC)cn1
InChIInChI=1S/C16H16F3N3O3/c1-3-11-7-15(24)22(9-20-11)8-14(23)21-12-6-10(16(17,18)19)4-5-13(12)25-2/h4-7,9H,3,8H2,1-2H3,(H,21,23)
InChIKeyANXUJBYDQNZLKI-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.47
Rot. Bonds5

About 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide

2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 121064393) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID121064393
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2OC)cn1
InChIInChI=1S/C16H16F3N3O3/c1-3-11-7-15(24)22(9-20-11)8-14(23)21-12-6-10(16(17,18)19)4-5-13(12)25-2/h4-7,9H,3,8H2,1-2H3,(H,21,23)
InChIKeyANXUJBYDQNZLKI-UHFFFAOYSA-N
XLogP2.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064295
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064198
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064355
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 122278501
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121063523
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 41376359
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517349
ethyl N-[2-[2-[2-methoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112523331
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 41376487
N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064373
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide (CID 121064393) is 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide is CCc1cc(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2OC)cn1.
What is the InChIKey of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ANXUJBYDQNZLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-3-11-7-15(24)22(9-20-11)8-14(23)21-12-6-10(16(17,18)19)4-5-13(12)25-2/h4-7,9H,3,8H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide?
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 355.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 121064393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).