Methylbenzoprim

5-[4-[benzyl(methyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine

CAS: 118344-71-1

Molecular Formula	`C20H22N6O2`
Molecular Weight	378.4 g/mol
LogP	3.3
Topological Polar Surface Area	127.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	378.18042
Heavy Atoms	28
Complexity	509.0

Chemical Identifiers

CAS Number	118344-71-1
SMILES	`CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]`
InChIKey	`NUFNKYNBZYIQDG-UHFFFAOYSA-N`

📖 Product Overview

Methylbenzoprim (CAS: 118344-71-1) is a chemical compound with molecular formula C20H22N6O2 and molecular weight 378.4 g/mol. Its IUPAC systematic name is 5-[4-[benzyl(methyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine. LogP 3.3 Topological Polar Surface Area 127.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 378.18042 Heavy Atoms 28 Complexity 509.0 InChI Key: NUFNKYNBZYIQDG-UHFFFAOYSA-N. SMILES: CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(C)CC3=CC=CC=C3)[N+](=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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