Bapp-trimethoprim

2-bromo-N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]phenyl]acetamide;hydrobromide

CAS: 78025-83-9

Molecular Formula	`C21H23Br2N5O4`
Molecular Weight	569.2 g/mol
Topological Polar Surface Area	135.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	569.00964
Heavy Atoms	32
Complexity	552.0

Chemical Identifiers

CAS Number	78025-83-9
SMILES	`COC1=CC(=CC(=C1OC2=CC=C(C=C2)NC(=O)CBr)OC)CC3=CN=C(N=C3N)N.Br`
InChIKey	`LSKHELMGYVZMCN-UHFFFAOYSA-N`

📖 Product Overview

Bapp-trimethoprim (CAS: 78025-83-9) is a chemical compound with molecular formula C21H23Br2N5O4 and molecular weight 569.2 g/mol. Its IUPAC systematic name is 2-bromo-N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]phenyl]acetamide;hydrobromide. Topological Polar Surface Area 135.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 8 Exact Mass 569.00964 Heavy Atoms 32 Complexity 552.0 InChI Key: LSKHELMGYVZMCN-UHFFFAOYSA-N. SMILES: COC1=CC(=CC(=C1OC2=CC=C(C=C2)NC(=O)CBr)OC)CC3=CN=C(N=C3N)N.Br.

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