3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide

C16H17F3N4O2 — CID 119074684

IUPAC3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)c2cccc(OCCN)c2)n1
InChIInChI=1S/C16H17F3N4O2/c1-10-7-13(16(17,18)19)23-14(22-10)9-21-15(24)11-3-2-4-12(8-11)25-6-5-20/h2-4,7-8H,5-6,9,20H2,1H3,(H,21,24)
InChIKeyIQEHGNFMYJYOAY-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.07
Rot. Bonds6

About 3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide

3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide (PubChem CID 119074684) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide
PubChem CID119074684
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)c2cccc(OCCN)c2)n1
InChIInChI=1S/C16H17F3N4O2/c1-10-7-13(16(17,18)19)23-14(22-10)9-21-15(24)11-3-2-4-12(8-11)25-6-5-20/h2-4,7-8H,5-6,9,20H2,1H3,(H,21,24)
InChIKeyIQEHGNFMYJYOAY-UHFFFAOYSA-N
XLogP2.07
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide
CID 118781649
3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 118774721
3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136998459
3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide
CID 118791993
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19329009
3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide;hydrochloride
CID 122517061
N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 136530357
2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131895376
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2H-benzotriazole-5-carboxamide
CID 77085196
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide
CID 13114245
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide (CID 119074684) is 3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide is Cc1cc(C(F)(F)F)nc(CNC(=O)c2cccc(OCCN)c2)n1.
What is the InChIKey of 3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide?
The InChIKey is IQEHGNFMYJYOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-10-7-13(16(17,18)19)23-14(22-10)9-21-15(24)11-3-2-4-12(8-11)25-6-5-20/h2-4,7-8H,5-6,9,20H2,1H3,(H,21,24).
What are the key properties of 3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide?
3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide has a molecular weight of 354.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide is sourced from PubChem (CID 119074684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).