3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide

C17H14F3N3O2S — CID 46397361

IUPAC3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1cnc2sc(C)c(C(=O)Nc3ccccc3C(F)(F)F)c2c1=O
InChIInChI=1S/C17H14F3N3O2S/c1-3-23-8-21-15-13(16(23)25)12(9(2)26-15)14(24)22-11-7-5-4-6-10(11)17(18,19)20/h4-8H,3H2,1-2H3,(H,22,24)
InChIKeyFICRKVCGEAGVDY-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.06
Rot. Bonds3

About 3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide

3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 46397361) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID46397361
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1cnc2sc(C)c(C(=O)Nc3ccccc3C(F)(F)F)c2c1=O
InChIInChI=1S/C17H14F3N3O2S/c1-3-23-8-21-15-13(16(23)25)12(9(2)26-15)14(24)22-11-7-5-4-6-10(11)17(18,19)20/h4-8H,3H2,1-2H3,(H,22,24)
InChIKeyFICRKVCGEAGVDY-UHFFFAOYSA-N
XLogP4.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 5159702
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 55512532
(2S)-2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 40840666
6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-one
CID 121360089
1,4,6-trimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860792
1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19579044
5-methyl-4-oxo-3-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 44640263
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53024132
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8576831
1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 2991256
5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109198553
N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209476

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide (CID 46397361) is 3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide is CCn1cnc2sc(C)c(C(=O)Nc3ccccc3C(F)(F)F)c2c1=O.
What is the InChIKey of 3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is FICRKVCGEAGVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-3-23-8-21-15-13(16(23)25)12(9(2)26-15)14(24)22-11-7-5-4-6-10(11)17(18,19)20/h4-8H,3H2,1-2H3,(H,22,24).
What are the key properties of 3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 46397361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).