N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide

C20H25F3N4O — CID 121416919

IUPACN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1CC(F)(F)F
InChIInChI=1S/C20H25F3N4O/c1-5-27(11-10-26(4)19-24-14(2)12-15(3)25-19)18(28)17-9-7-6-8-16(17)13-20(21,22)23/h6-9,12H,5,10-11,13H2,1-4H3
InChIKeyFWSDYYXATTZVDT-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.80
Rot. Bonds7

About N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide

N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide (PubChem CID 121416919) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide
PubChem CID121416919
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1CC(F)(F)F
InChIInChI=1S/C20H25F3N4O/c1-5-27(11-10-26(4)19-24-14(2)12-15(3)25-19)18(28)17-9-7-6-8-16(17)13-20(21,22)23/h6-9,12H,5,10-11,13H2,1-4H3
InChIKeyFWSDYYXATTZVDT-UHFFFAOYSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide (CID 121416919) is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide is CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1CC(F)(F)F.
What is the InChIKey of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FWSDYYXATTZVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-5-27(11-10-26(4)19-24-14(2)12-15(3)25-19)18(28)17-9-7-6-8-16(17)13-20(21,22)23/h6-9,12H,5,10-11,13H2,1-4H3.
What are the key properties of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide?
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 394.44 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 121416919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).