2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide

C15H11F6N3O2 — CID 137078821

IUPAC2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide
SMILESNC(=O)Cc1nc(C(F)(F)F)c(Cc2cccc(C(F)(F)F)c2)c(=O)[nH]1
InChIInChI=1S/C15H11F6N3O2/c16-14(17,18)8-3-1-2-7(4-8)5-9-12(15(19,20)21)23-11(6-10(22)25)24-13(9)26/h1-4H,5-6H2,(H2,22,25)(H,23,24,26)
InChIKeyOUHHGUMMBFAPPB-UHFFFAOYSA-N
MW379.26 g/mol
LogP2.43
Rot. Bonds4

About 2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide

2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide (PubChem CID 137078821) has the molecular formula C15H11F6N3O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide
PubChem CID137078821
Molecular FormulaC15H11F6N3O2
Molecular Weight379.26 g/mol
Exact Mass379.08
IUPAC Name2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide
SMILESNC(=O)Cc1nc(C(F)(F)F)c(Cc2cccc(C(F)(F)F)c2)c(=O)[nH]1
InChIInChI=1S/C15H11F6N3O2/c16-14(17,18)8-3-1-2-7(4-8)5-9-12(15(19,20)21)23-11(6-10(22)25)24-13(9)26/h1-4H,5-6H2,(H2,22,25)(H,23,24,26)
InChIKeyOUHHGUMMBFAPPB-UHFFFAOYSA-N
XLogP2.43
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]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

2-[5-[(3-chlorophenyl)methyl]-6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]acetamide
CID 137078822
6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 83950321
5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyrazol-3-one
CID 141273226
2-amino-5-[[3-(trifluoromethyl)phenyl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 142732159
6,7-dimethoxy-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-quinazolin-4-one
CID 135909907
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid
CID 70280706
2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile
CID 129080140
2,5-dichloro-4-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid
CID 45140788
2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67079639
5-[(3,4-dichlorophenyl)methyl]-2-(oxan-4-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137045577
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide?
The IUPAC name of 2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide (CID 137078821) is 2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide is NC(=O)Cc1nc(C(F)(F)F)c(Cc2cccc(C(F)(F)F)c2)c(=O)[nH]1.
What is the InChIKey of 2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide?
The InChIKey is OUHHGUMMBFAPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N3O2/c16-14(17,18)8-3-1-2-7(4-8)5-9-12(15(19,20)21)23-11(6-10(22)25)24-13(9)26/h1-4H,5-6H2,(H2,22,25)(H,23,24,26).
What are the key properties of 2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide?
2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide has a molecular weight of 379.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 137078821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).