N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide

C20H25F3N4O — CID 173269048

IUPACN-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide
SMILESCCN(CC)CCN(Cc1cnc(-c2ccc(C(F)(F)F)cc2)nc1)C(C)=O
InChIInChI=1S/C20H25F3N4O/c1-4-26(5-2)10-11-27(15(3)28)14-16-12-24-19(25-13-16)17-6-8-18(9-7-17)20(21,22)23/h6-9,12-13H,4-5,10-11,14H2,1-3H3
InChIKeyOWZKNWAORBRJDR-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.85
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide

N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide (PubChem CID 173269048) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide
PubChem CID173269048
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC NameN-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide
SMILESCCN(CC)CCN(Cc1cnc(-c2ccc(C(F)(F)F)cc2)nc1)C(C)=O
InChIInChI=1S/C20H25F3N4O/c1-4-26(5-2)10-11-27(15(3)28)14-16-12-24-19(25-13-16)17-6-8-18(9-7-17)20(21,22)23/h6-9,12-13H,4-5,10-11,14H2,1-3H3
InChIKeyOWZKNWAORBRJDR-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N'-methyl-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 162549188
N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 142134445
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055335
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 90694637
2-[(2-acetylcyclopenten-1-yl)-[4-(4-chlorophenyl)but-1-en-2-yl]amino]-N-[2-(diethylamino)ethyl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;ethane
CID 142134562
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 51097153
N-[2-(diethylamino)ethyl]-2-(6-ethyl-5-oxo-3-sulfanylidene-1,2,4-triazin-2-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 159515033
N-[2-(diethylamino)ethyl]-N-[[2-[4-(fluoromethyl)phenyl]pyrimidin-5-yl]methyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-4-oxopyrimidin-1-yl]acetamide
CID 70948456
2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 15486309
2-[3-[(4-chlorophenyl)methylsulfanyl]-6-ethyl-5-oxo-1,2,4-triazin-2-yl]-N-[2-(diethylamino)ethyl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 143241857
N-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;methyl 2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 87417548

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide (CID 173269048) is N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide is CCN(CC)CCN(Cc1cnc(-c2ccc(C(F)(F)F)cc2)nc1)C(C)=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide?
The InChIKey is OWZKNWAORBRJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-4-26(5-2)10-11-27(15(3)28)14-16-12-24-19(25-13-16)17-6-8-18(9-7-17)20(21,22)23/h6-9,12-13H,4-5,10-11,14H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide?
N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide has a molecular weight of 394.44 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 173269048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).