2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide

C17H24BrN7O — CID 42926055

IUPAC2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C17H24BrN7O/c1-10-8-12(18)6-7-13(10)20-14(26)9-25(5)11(2)15-21-16(19)23-17(22-15)24(3)4/h6-8,11H,9H2,1-5H3,(H,20,26)(H2,19,21,22,23)
InChIKeyMABBSZVNJOXMSK-UHFFFAOYSA-N
MW422.33 g/mol
LogP2.22
Rot. Bonds6

About 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide

2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 42926055) has the molecular formula C17H24BrN7O and a molecular weight of 422.33 g/mol. Its IUPAC name is 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID42926055
Molecular FormulaC17H24BrN7O
Molecular Weight422.33 g/mol
Exact Mass421.12
IUPAC Name2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C17H24BrN7O/c1-10-8-12(18)6-7-13(10)20-14(26)9-25(5)11(2)15-21-16(19)23-17(22-15)24(3)4/h6-8,11H,9H2,1-5H3,(H,20,26)(H2,19,21,22,23)
InChIKeyMABBSZVNJOXMSK-UHFFFAOYSA-N
XLogP2.22
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[[(1S)-1-cyanoethyl]-methylamino]acetamide
CID 9303278
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CID 55387396
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 51171679
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 25490882
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-naphthalen-1-ylpropanamide
CID 17425599
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 42911653
N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911650
2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158975
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide (CID 42926055) is 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(C)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is MABBSZVNJOXMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN7O/c1-10-8-12(18)6-7-13(10)20-14(26)9-25(5)11(2)15-21-16(19)23-17(22-15)24(3)4/h6-8,11H,9H2,1-5H3,(H,20,26)(H2,19,21,22,23).
What are the key properties of 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide?
2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 422.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 42926055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).